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PhD subjects

42 sujets IRAMIS

Dernière mise à jour : 15-12-2019


• Biotechnology, biophotonics

• Chemistry

• Materials and applications

• Mesoscopic physics

• Optics - Laser optics - Applied optics

• Physical chemistry and electrochemistry

• Radiation-matter interactions

• Soft matter and complex fluids

• Solid state physics, surfaces and interfaces

• Ultra-divided matter, Physical sciences for materials

 

The Hong Ou Mandel experiment in graphene

SL-DRF-20-0357

Location :

Service de Physique de l’Etat Condensé

Groupe Nano-Electronique

Saclay

Contact :

Preden Roulleau

Patrice ROCHE

Starting date : 01-10-2020

Contact :

Preden Roulleau
CEA - DRF/IRAMIS/SPEC/GNE

0169087311

Thesis supervisor :

Patrice ROCHE
CEA - DRF/IRAMIS/SPEC/GNE

0169087216

Personal web page : http://iramis.cea.fr/Pisp/preden.roulleau/

Laboratory link : http://iramis.cea.fr/spec/GNE/

More : https://nanoelectronicsgroup.com/

Historically, the Hong Ou Mandel experiment has been performed to get time-domain information on the photon wave packets: it was a direct way to measure the time width of single photon wave packets. The lack of quadratic detectors to perform time auto-correlation at so low input level led them to consider the second order coherence g_2 (tau)=|Psi(x)¦Psi(x-tau)|^2 by colliding the idler and signal photons generated by parametric down-conversion of a laser source on a beam splitter. Indeed, the interference of the two indistinguishable particles makes the particle detection statistics dependent on their wavefunction overlap. After N0 experiments, the particle number fluctuation is Delta_N^2~(1±|Psi(x)¦Psi(x-v_F tau)|^2), where the plus sign holds for bosons, the minus sign holds for fermions, tau is the time delay between particles and v_F is their velocity. For non-overlapping states at large tau, the fluctuations of two particles independently partitioned is found. For zero delay (full overlap), the bosonic bunching doubles the noise whereas the fermionic exclusion makes it vanish. Hong–Ou–Mandel experiments are now standard in quantum optics. With the use of electronic beamsplitters in GaAs/AlGaAs, d.c. and a.c. voltage sources have shown anti-bunching [1,2].

Recently we have shown that it was possible to mimic these beam splitters in graphene and to obtain Mach Zehnder interferometers with record visibility of 88% [3]. Based on this, we propose an original Hong Ou Mandel geometry to probe for the first time the fermion statistics in graphene.

During this training period, the student will join a running experiment. In parallel theoretical calculations will be done together with numerical simulation of electron collision in graphene.

This proposal is part of the ERC starting grant COHEGRAPH (2016).



[1] J. Dubois, T. Jullien, F. Portier, P. Roche, A. Cavanna, Y. Jin, W. Wegscheider, P. Roulleau, & D. C.Glattli , Nature 502, 659-663 (2013)

[2] E. Bocquillon et al., Science 339, 1054 (2013)

[3] Coherent manipulation of the valley in graphene, M. Jo, P. Brasseur, A. Assouline, W. Dumnernpanich, P. Roche, D.C. Glattli, N. Kumada, F.D. Parmentier, and P. Roulleau, to be submitted to Nature (2019)

Carbon nanotube optoelectronic devices for silicon photonics

SL-DRF-20-0543

Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences

Saclay

Contact :

Arianna FILORAMO

Starting date : 01-09-2020

Contact :

Arianna FILORAMO
CEA - DRF/IRAMIS/NIMBE/LICSEN

01-69-08-86-35

Thesis supervisor :

Arianna FILORAMO
CEA - DRF/IRAMIS/NIMBE/LICSEN

01-69-08-86-35

Personal web page : http://iramis.cea.fr/nimbe/Phocea/Membres/Annuaire/index.php?uid=filoramo

Laboratory link : http://iramis.cea.fr/nimbe/licsen/

Thanks to their outstanding electrical, mechanical and chemical characteristics, carbon nanotubes have been demonstrated to be very promising building blocks for future nanoelectronic technologies. In addition, recently their optical properties have attracted more attention because of their typical fundamental optical transition in the NIR [1-2] in a frequency range of interest for the telecommunications. The idea is to combine their particular optical features, inferred by their one-dimensional character, with their assessed exceptional transport and mechanics characteristics for hybrid optoelectronics/optomechanics application [3-5].



Recently, integrated hybridization approaches of photonics nanostructures hosting various kind of materials have raised great interest. Indeed, silicon is the base of current information processing technology while being an indirect bandgap material with poor electro-optic properties. Integrating SWNT onto Si photonic platform will enable to exploit their optical properties with the capability to electrically drive them. However, before that this can be effectively realized some fundamental studies are necessary.



Here, we will consider the mechanism involved in the electroluminescence and photoconductivity: both the carrier injection and the mechanisms leading to radiative recombination are to be considered. We will perform studies onto semiconducting nanotubes that we will extract from the pristine mixture by a method based on selective polymer wrapping [6-14]. Specifically we will reduce the distribution in chiralitiy to be able to study the characteristic of excitonic trapped states. Indeed, the comprehension of these phenomena is extremely important to obtain performant devices at room temperature (photodetectors, LED and single photon sources). Finally, hybrid opto-mecanichal integrated devices will be also considered.





[1] S. M. Bachilo et al. Science 298, 2361 (2002) ;

[2] O’Connell M. J. et al., Science 297, 593 (2002) ;

[3] Freitag et al., NanoLetter 6, 1425 (2006) ;

[4] Mueller et al., NatureNanotech. 5, 27 (2010) ;

[5] S.Wang et al. Nano Letter 11, 23 (2011);

[6] Nish, A. et al. Nat. Nanotechnol. 2, 640 (2007) ;

[7] Chen, F. et al. Nano Lett. 7, 3013 (2007) ;

[8] Nish, A. et al. Nanotechnology 19, 095603 (2008) ;

[9] Hwang, J.-Y. et al., J. Am. Chem. Soc. 130, 3543-3553 (2008) ;

[10] Gaufrès E. et al., Appl. Phys. Lett. 96, 231105 (2010) ;

[11] Gao, J. et al. Carbon 49, 333 (2011);

[12] Tange M. et al. ACS Appl. Mater. Interfaces 4, 6458 (2012)

[13] Sarti F. et al Nano Research 9, 2478 (2016)

[14] Balestrieri M. et al Advanced Functional Materials 1702341 (2017).



SL-DRF-20-0599

Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire d’étude des éléments légers

Saclay

Contact :

Magali GAUTHIER

Maylise NASTAR

Starting date : 01-10-2020

Contact :

Magali GAUTHIER
CEA - DRF/IRAMIS/NIMBE/LEEL

01 69 08 45 30

Thesis supervisor :

Maylise NASTAR
CEA - DEN/DMN/SRMP

0169088194

Personal web page : http://iramis.cea.fr/Pisp/magali.gauthier/

Laboratory link : http://iramis.cea.fr/nimbe/leel/

Multiscale modelling of diffusion in fast-lithium ion solid-State electrolytes

SL-DRF-20-0560

Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Structure et Dynamique par Résonance Magnétique (LCF)

Saclay

Contact :

Thibault CHARPENTIER

Starting date : 01-10-2020

Contact :

Thibault CHARPENTIER
CEA - DRF/IRAMIS/NIMBE/LSDRM

33 1 69 08 23 56

Thesis supervisor :

Thibault CHARPENTIER
CEA - DRF/IRAMIS/NIMBE/LSDRM

33 1 69 08 23 56

Personal web page : http://iramis.cea.fr/Pisp/112/thibault.charpentier.html

Laboratory link : http://iramis.cea.fr/nimbe/lsdrm/

Li-ion batteries are now widely used in our daily lives. However, the use of liquid electrolytes poses many problems in terms of performance and safety. The "all solid" battery approach is a promising way to address these challenges. In this context, many materials are currently being studied as high-performance solid electrolytes. These include garnet ceramics Li7La3Zr2O12 (LLZO) spiked (Al3+, Ga3+, Nb5+, Ta5+, ...) are among the best candidates.



The objective of this thesis is to develop numerical simulation tools and methodologies to study the mobility and diffusion of lithium in LLZO type ceramics at different time scales by combining, for short times, molecular dynamic simulations and ab-initio DFT type calculations combined with Monte-Carlo type kinetic models or fields to access long time scales.



These simulations will be confronted with experiments in nuclear magnetic resonance (NMR, nuclear relaxation of lithium-7) and electrochemical impedance spectroscopy (EIS). These experiments make it possible to accurately characterize lithium movements at both microscopic (mobility, NMR) and macroscopic (diffusion, EIS) scales. The aim is to understand the phenomena of nano-structural evolution and slow diffusion that potentially impact the functioning and ageing of the electrolyte.
Single cell analysis of magnetotactic bacteria in a micro-container

SL-DRF-20-0559

Research field : Biotechnology, biophotonics
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Florent Malloggi

Damien FAIVRE

Starting date : 01-09-2020

Contact :

Florent Malloggi
CEA - DSM/IRAMIS/NIMBE/LIONS

+3316908 6328

Thesis supervisor :

Damien FAIVRE
CEA - DRF/BIAM/SBVME/LBC

04 42 25 22 75

Personal web page : http://iramis.cea.fr/nimbe/Pisp/florent.malloggi/

Laboratory link : http://iramis.cea.fr/nimbe/lions/

More : http://biam.cea.fr/drf/biam/english/Pages/laboratories/lbc/magneto-bacteria.aspx

Waste treatment is an important societal problem that benefits from few innovative solutions. The use of magnetotactic bacteria capable of bio-mineralizing waste could be a very promising approach. It is in this context that we propose to carry out systematic studies of the viability of bacteria in the presence of different ion species and under radiation. To this end, we will develop a microfluidic system capable of isolating and studying bacteria under different experimental conditions. These measurements will allow us to determine the influence of the chemical and physical environment on the nucleation and organization of magnetosomes at the single cell level.
Realization of efficient and innovative functionalization of graphene and carbon nanotubes for energy and material science

SL-DRF-20-0059

Research field : Chemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences

Saclay

Contact :

Stéphane CAMPIDELLI

Starting date : 01-10-2020

Contact :

Stéphane CAMPIDELLI
CEA - DRF/IRAMIS/NIMBE/LICSEN

01-69-08-51-34

Thesis supervisor :

Stéphane CAMPIDELLI
CEA - DRF/IRAMIS/NIMBE/LICSEN

01-69-08-51-34

Personal web page : http://iramis.cea.fr/Pisp/stephane.campidelli/

Laboratory link : http://iramis.cea.fr/nimbe/licsen/

The aim of this project is the development of new functional carbon nanotubes and graphene derivatives. So far, functionalization of carbon-based nano-objects is based either on the covalent grafting or on the non-covalent adsorption of molecules on the nanotube/graphene surfaces. It is well established that the covalent grafting of molecules give rise to robust conjugates since the nano-objects and the addends are linked through covalent bonds; however, the transformation of carbon atoms hybridized sp2 into sp3 in the nanotube framework induces a sizeable loss of their electronic properties. On the contrary, the non-covalent functionalization permits to better preserve the electronic properties of the nanotubes. So, for a number of applications, the non-covalent functionalization should be preferred. However, this approach suffers from a major drawback which is the lack of stability of the resulting assemblies. Indeed, molecules adsorbed onto the nanotube sidewall can desorb, more or less easily, when for example the solvent changes or the nanotubes are filtered and redispersed.

Recently we developed a method combining most advantages of these two techniques without their major drawbacks. From the applicative point of view, this method can be used to create new carbon-based nanomaterials for photovoltaic, catalytic and electronic applications.
Liquid-Liquid extraction in supercritical fluids and associated desextraction

SL-DRF-20-0558

Research field : Chemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences

Saclay

Contact :

Jean-Christophe GABRIEL

Starting date : 01-10-2020

Contact :

Jean-Christophe GABRIEL
CEA - DRF/IRAMIS/NIMBE/LICSEN

0438780257

Thesis supervisor :

Jean-Christophe GABRIEL
CEA - DRF/IRAMIS/NIMBE/LICSEN

0438780257

Personal web page : http://inac.cea.fr/Phocea/Pisp/index.php?nom=jean-christophe.gabriel

Laboratory link : http://iramis.cea.fr/nimbe/licsen/

More : https://fr.linkedin.com/in/jcpgabriel

The objective of this thesis work will be to demonstrate a viable liquid-liquid extraction approach in supercritical environment as well as for the desextraction. For that, the approach will have to make it possible to extract certain chemical elements, such as, for example, rare earth (for their own interest but also like simulant of actinides) in a specific manner from an aqueous solution. The latter will either be a simulation of a leachate or a solution resulting from a decontamination process.



During his thesis, the student will be exposed to a multidisciplinary environment and led to carry out experiments in various fields such as organic or molecular chemistry, physical chemistry, and characterization methods, publish results in international journals, even file patent application(s) if necessary as well as supervise undergraduate students. For the latter, it will have access to a very wide and varied range of equipments ranging from the optical microscope to the latest generation synchrotron (ESRF), X-ray diffraction, SAXS, as well as NMR, FTIR and UV spectroscopies.

This thesis is therefore an excellent opportunity for professional growth both from the point of view of your knowledge, your know-how or communication skills.

Synthesis and optical properties of graphene nanoparticles

SL-DRF-20-0058

Research field : Chemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences

Saclay

Contact :

Stéphane CAMPIDELLI

Starting date : 01-10-2020

Contact :

Stéphane CAMPIDELLI
CEA - DRF/IRAMIS/NIMBE/LICSEN

01-69-08-51-34

Thesis supervisor :

Stéphane CAMPIDELLI
CEA - DRF/IRAMIS/NIMBE/LICSEN

01-69-08-51-34

Personal web page : http://iramis.cea.fr/Pisp/stephane.campidelli/

Laboratory link : http://iramis.cea.fr/nimbe/licsen/

Graphene as a constituent of graphite was close to us for almost 500 years. However, it is only in 2005 that A. Geim and K. Novoselov (Nobel Prize in 2010) reported for the first time the obtaining of a nanostructure composed by a single layer of carbon atom. The exceptional electronic properties of graphene make it a very promising material for applications in electronic and renewable energies.



For many applications, one should be able to modify and control precisely the electronic properties of graphene. In this context, we propose to synthesize chemically graphene nanoparticles and study their absorption and photoluminescence properties. This project will be developed in collaboration with Physicists so the candidate will work in a multidisciplinary environment.

SL-DRF-20-0492

Research field : Chemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire de Chimie Moléculaire et de Catalyse pour l’Energie

Saclay

Contact :

Thibault CANTAT

Starting date :

Contact :

Thibault CANTAT
CEA - DRF/IRAMIS/NIMBE/LCMCE

01 69 08 43 38

Thesis supervisor :

Thibault CANTAT
CEA - DRF/IRAMIS/NIMBE/LCMCE

01 69 08 43 38

Personal web page : http://iramis.cea.fr/Pisp/thibault.cantat/index.html

Laboratory link : http://iramis.cea.fr/nimbe/lcmce/

Functionnalized nanoparticles for radiosensitization

SL-DRF-20-0532

Research field : Chemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences

Saclay

Contact :

Geraldine CARROT

Jean-Philippe RENAULT

Starting date : 01-10-2017

Contact :

Geraldine CARROT
CEA - DRF/IRAMIS/NIMBE/LICSEN

01 69 08 41 47

Thesis supervisor :

Jean-Philippe RENAULT
CEA - DRF/IRAMIS/NIMBE/LIONS

01 69 08 15 50

Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=carrot

Laboratory link : http://iramis.cea.fr/nimbe/licsen/

More : http://iramis.cea.fr/nimbe/lions/

This project involves the development of new delivery systems for drugs based on the degradation of polymers by irradiation. This new stimulus has never been explored for such applications. This permits to consider a coupled chemo- and radiotherapy beyond the simple trigger release. The objective is to perform the synthesis of a library of original amphiphilic copolymers, i.e. with a water-soluble/biocompatible part, together with a hydrophobic/radiosensitive part. The self-assembly into micelles or vesicles will lead to objects with a radiosensitive core where the drug will be located. The first advantage of these new systems is to control more finely the targeting of drug to the tumor cells and to avoid the side effects associated with chemotherapy and radiotherapy, by controlling the position of the irradiating beam and/or the absorbed doses.
Composite materials based on TiO2 and graphene for energy application

SL-DRF-20-0593

Research field : Chemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Edifices Nanométriques

Saclay

Contact :

Nathalie HERLIN

Starting date : 01-10-2020

Contact :

Nathalie HERLIN
CEA - DRF/IRAMIS/NIMBE/LEDNA

0169083684

Thesis supervisor :

Nathalie HERLIN
CEA - DRF/IRAMIS/NIMBE/LEDNA

0169083684

Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=herlin

Laboratory link : http://iramis.cea.fr/nimbe/ledna/

Bioactive polymer-grafted surfaces to limit the resistance of bacteria

SL-DRF-20-0793

Research field : Chemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences

Saclay

Contact :

Geraldine CARROT

Starting date : 01-10-2020

Contact :

Geraldine CARROT
CEA - DRF/IRAMIS/NIMBE/LICSEN

01 69 08 41 47

Thesis supervisor :

Geraldine CARROT
CEA - DRF/IRAMIS/NIMBE/LICSEN

01 69 08 41 47

Personal web page : http://iramis.cea.fr/nimbe/Phocea/Membres/Annuaire/index.php?uid=carrot

Laboratory link : http://iramis.cea.fr/nimbe/licsen/

Bacteria are always present in our environment whether natural, industrial, medical-hospital ... Their presence is generally not harmful and can even be beneficial. Nevertheless, some of them being pathogenic, they can represent a real danger and be at the origin of public health problems. Controlling this microbial flora and its development still remain a challenge in different areas of applications.



Very recent studies have shown that after only a few hours of adhesion to surfaces, bacteria were able to "feel" contact with the surface and to modify their proteome. Among the under or over expressed proteins, some are involved in the reactivity of bacteria to antimicrobials. These original data could explain some of the resistance phenomena observed today. What are the surfaces characteristics involved in these physiological evolutions? This is a crucial question to which it is now essential to provide elements of knowledge and answers, in order to help to the choice of surfaces and/or to the modifications of surfaces to be made (implants, medical environment, etc.).



The proposed thesis will therefore focus on the design of surfaces modified by polymers already studied previously (BRICAPAC project),1 showing a strong interaction with bacteria and a modular bacteriostatic effect. Here, we will try to better understand the impact of these interactions while changing the physicochemical parameters of the polymer layer. We will also graft other types of polymers with, for example, different charges, or to form amphiphilic or ampholytic copolymers. 3D surfaces will also be grafted (from nanoparticles) to study the impact of interactions in solution. Finally, nanostructured surfaces with defined patterns can be obtained from grafted polymers or nanoparticles, thanks to inkjet printing techniques. These new surfaces should make it possible to identify the factors behind the previously discussed adaptations (chemical composition, bacterial/surface adhesion interactions, mechanical stress, etc.). The proposed thesis will therefore concern the study of the reactivity of bacteria to antimicrobial agents, after adhesion to these surfaces. It will be carried out in close collaboration with a partner team specialized in bioadhesion and reactivity of immobilized bacteria (AgroParisTech INRA, UMR GMPA, Massy).

Multi-purpose reaction-ready cubosomal platforms as new tools against antibiotic resistance

SL-DRF-20-0596

Research field : Chemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Christophe FAJOLLES

Patrick GUENOUN

Starting date : 01-11-2019

Contact :

Christophe FAJOLLES
CEA - DSM/IRAMIS/NIMBE/LIONS

01 69 08 99 60

Thesis supervisor :

Patrick GUENOUN
CEA - DRF/IRAMIS/NIMBE/LIONS

01-69-08-74-33

Personal web page : http://iramis.cea.fr/Pisp/christophe.fajolles/

Laboratory link : http://iramis.cea.fr/nimbe/lions/

This PhD is part of a wider project bringing together scientists from Chemistry, Physical Chemistry and Biophysics to make and deliver a new lipid multifonctional nanoplatform (Reaction-ready cubosomes, RRC) for delivery purposes. In particular, the simultaneous delivery of two antibiotics (bitherapy) thanks to RRC is seeked for fighting against antibiotics resistance. The project proposes an innovative concept for the formation of a soft nano-structure, the reactive cubosome, whose dimensions and surface density will allow to finely control its final sophisticated properties.

In view recent results, we wish to develop a straightforward yet versatile pathway to prepare functional lipidic cubic-phases in-situ. The synthetic strategy will rely on the nucleophilic epoxide ring opening in water of commercially available oleoyl ester of glycidol (GMO) dispersed in MonoOlein (MO), the most frequently used lipid in the preparation of cubic phases.

The structure of cubosomes will be characterized by several techniques, such as small-angle X-ray scattering (SAXS), cryo-electron microscopy (cryo-EM), NMR and differential scanning calorimetry (DSC) and will guide the synthetic effort.
Measurement of accidental radiation exposure by radio-induced defects in smartphones screens

SL-DRF-20-0586

Research field : Materials and applications
Location :

Laboratoire des Solides Irradiés

Laboratoire des Solides Irradiés

Saclay

Contact :

François Trompier

Nadege OLLIER

Starting date :

Contact :

François Trompier
IRSN -


Thesis supervisor :

Nadege OLLIER
CEA - DRF/IRAMIS/LSI

01 69 33 45 18

Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=ollier

Laboratory link : https://portail.polytechnique.edu/lsi/fr

In case of a large-scale radiological emergency, methods are needed to identify individuals in the

population who have been exposed and require immediate soins ?. There are no operational methods to date. The

glasses of smartphones' touch screens keep in "memory" the trace of an irradiation with ionizing radiations by the

formation of so-called "radio-induced" defects. The measurement and quantification of these point defects, in

particular by electron paramagnetic resonance spectroscopy (EPR), makes it possible to estimate the dose deposited

in the glass and thus to estimate the exposure associated with the irradiation. However, an increased understanding of

the nature of the stable defects involved and their stability is necessary. Indeed, the nature of the point defects and

their properties are not known, moreover they are very dependent on the generation of Gorilla glass (Corning).

The aim of this thesis is to propose approaches or methods to quantify some of the defects that may be related to the dose delivered. Defects that are not induced by UV will be preferred.
In-situ silica porous membranes and fluidized beds built within microfluidic systems for biotechnology applications

SL-DRF-20-0547

Research field : Materials and applications
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Florent Malloggi

Patrick GUENOUN

Starting date : 01-09-2020

Contact :

Florent Malloggi
CEA - DSM/IRAMIS/NIMBE/LIONS

+3316908 6328

Thesis supervisor :

Patrick GUENOUN
CEA - DRF/IRAMIS/NIMBE/LIONS

01-69-08-74-33

Personal web page : http://iramis.cea.fr/nimbe/Pisp/florent.malloggi/

Laboratory link : http://iramis.cea.fr/nimbe/lions/

Macroscopic packed and fluidized beds consist of beads packed in a container with a porous membrane at the bottom through which a fluid can be homogeneously injected. Such devices are widely used for liquid¬-solid exchange processes because of their high surface to volume ratio. Downsizing this concept in microfluidics is a hot topic particularly for biotechnology applications where limited/expensive sample volume is often a strong constrain. We propose the original idea of synthesizing anchored porous silica membranes within microfluidic channels, in order to prepare packed and fluidized beds able to perform enhanced liquid¬-solid exchange processes. Silica porous membranes will provide downsized equivalents to macroscopic membranes, allowing the flow of fluids while blocking the passage of micrometric solid particles, making possible the development of homogeneous beds at a micrometric scale. The effects of sol¬-gel reactions parameters on membranes properties (pores size, homogeneity, thickness, surface chemistry) and the generation of packed and fluidized beds by injection of micro/nanometric functionalized particles (polymer and inorganic micro/nanoparticles) will be investigated. Such multistage microfluidic systems are particularly suited for biomedical applications where only small volumes (10 -100 µL) are available and/or when multiple reactions are required such as enzymatic cleavages followed by chromatographic separation. Such multistep process are standard in biotechnology applications. For example, glycomic analysis is a recently developed method for biomarkers identification based on cleaving glycans from proteins followed by a separation step prior to mass spectrometry analysis. With our versatile approach, we are confident that it will be possible to validate sample preparation for glycomic analysis.
“Fine structure” of a superconducting circuit: Manipulation of the spin of a single electron

SL-DRF-20-0093

Research field : Mesoscopic physics
Location :

Service de Physique de l’Etat Condensé

Groupe Quantronique

Saclay

Contact :

Hugues POTHIER

Starting date : 01-10-2020

Contact :

Hugues POTHIER
CEA - DRF/IRAMIS/SPEC/GQ

01 69 08 55 29

Thesis supervisor :

Hugues POTHIER
CEA - DRF/IRAMIS/SPEC/GQ

01 69 08 55 29

Personal web page : http://iramis.cea.fr/spec/Pres/Quantro/static/people/hugues-pothier/index.html

Laboratory link : http://iramis.cea.fr/spec/GQ/

More : http://iramis.cea.fr/spec/Pres/Quantro/static/index.html

We design and fabricate superconducting circuits that are ruled by the laws of quantum mechanics. In this internship, we propose to carry out experiments aiming at the quantum coherent manipulation of the spin of a single quasiparticle excitation.



In practice, we use semiconducting nanowires covered with a superconducting shell. The shell is removed in a small section of the nanowire, giving rise to a spectrum of quantized electronic levels in the superconductor-free section. We have recently shown that, due to the spin-orbit interaction in the semiconductor, this spectrum presents a fine structure similar to that of electronic states in atoms [1]. During the internship proposed before the thesis, the quantum manipulation of the spin of a single electron in the nanowire will be realized using circuit quantum electrodynamics techniques. This will give access to the lifetime and quantum coherence time of the states.



We also plan to test the recent prediction of a magnetic-field-driven phase transition in nanowires fully covered with a superconductor [2]. A topological phase supporting Majorana fermions could be reached, and revealed by the spectroscopy of the circuit.



We look for a strongly motivated student having a good understanding of quantum physics. She/he will be integrated in an active research group on quantum electronics and get acquainted with advanced concepts of quantum mechanics and superconductivity. He/she will also learn several experimental techniques: low temperatures, low-noise and microwave measurements, and nanofabrication.



[1] L. Tosi et al., “Spin-Orbit Splitting of Andreev States Revealed by Microwave Spectroscopy”, Phys. Rev. X 9, 011010 (2019).

[2] R. Lutchyn et al., “Topological superconductivity in full shell proximitized nanowires” arXiv :1809.05512 (2018).



Anyonic statistics of toplogical e/3 and e/5 fractionally charged excitations in the Quantum Hall Effect regime

SL-DRF-20-0704

Research field : Mesoscopic physics
Location :

Service de Physique de l’Etat Condensé

Groupe Nano-Electronique

Saclay

Contact :

D. Christian GLATTLI

Starting date : 01-10-2020

Contact :

D. Christian GLATTLI
CEA - DRF/IRAMIS/SPEC/GNE

0169087243

Thesis supervisor :

D. Christian GLATTLI
CEA - DRF/IRAMIS/SPEC/GNE

0169087243

Personal web page : http://iramis.cea.fr/Pisp/24/christian.glattli.html

Laboratory link : http://iramis.cea.fr/spec/gne/

More : https://nanoelectronicsgroup.com/

In some quantum matter states, the current may remarkably be transported by carriers that bear a fraction e* of the elementary electron charge. This is the case for the Fractional quantum Hall effect (FQHE) that happens in two-dimensional systems at low temperature under a high perpendicular magnetic field. When the number of magnetic flux in units of h/e is a fraction of the number of electrons, a dissipationless current flows along the edges of the sample and is carried by anyons with fractional charge e/3, e/5, e/7, etc. These fractional excitations are believed to be anyons intermediate between fermions and bosons. However the evidence of anyonic statistics is still lacking.

We propose an original approach based on the manipulation of anyons by microwave photons as recently demonstrated in the group (Science 2019). The idea is to realize a single anyon source similar to the one developed for electrons based on Levitons (Nature 2013, Nature 2014). Combining 2 such sources would allow the 2-anyon interference required to evidence the anyonic statistics.

The thesis work will require the realization of the on-demand single anyon source using microwave Lorentzian pulses at ultra-low temperature in 14 Tesla magnetic field. The characterization will include electronic quantum noise measurements and coincidence measurements thanks to a new single charge detector



1] A Josephson relation for fractionally charged anyons, M. Kapfer, P. Roulleau, I. Farrer, D. Ritchie and D. C. Glattli ( SCIENCE (2019) https://doi.org/10.1126/science.aau3539 )



[2] Minimal-excitation states for electron quantum optics using levitons, J. Dubois, T. Jullien, F. Portier, P. Roche, A. Cavanna, Y. Jin, W. Wegscheider, P. Roulleau and D. C. Glattli, NATURE 502, 659-663 (2013)



[3] Quantum tomography of an electron, T. Jullien, P. Roulleau, B. Roche, A. Cavanna, Y. Jin and D. C. Glattli, Nature 514, 603–607 ( 2014)



Light-emissive self-organized molecular metamaterials

SL-DRF-20-0528

Research field : Mesoscopic physics
Location :

Service de Physique de l’Etat Condensé

Laboratoire d’Electronique et nanoPhotonique Organique

Saclay

Contact :

Fabrice CHARRA

Starting date : 01-10-2020

Contact :

Fabrice CHARRA
CEA - DSM/IRAMIS/SPEC/LEPO

+33/169089722

Thesis supervisor :

Fabrice CHARRA
CEA - DSM/IRAMIS/SPEC/LEPO

+33/169089722

Personal web page : http://iramis.cea.fr/Pisp/144/fabrice.charra.html

Laboratory link : http://iramis.cea.fr/Phocea/Vie_des_labos/Ast/ast_groupe.php?id_groupe=154

More : http://www.ipcm.fr/article670.html

The progresses in photonic technologies require the independent control of the propagation of the phase and the energy of light. This is possible using hyperbolic metamaterials, an ultimate case of birefringence with ordinary and extraordinary dielectric constants of opposite sign.



Self-organized molecular systems offer a route to the realization of such media since they can embed various p-conjugated mesogens amenable to form a large variety of structures with record-breaking optical anisotropy.



Our objective is to develop an innovative self-organized (macro) molecular system comprising fluorescent moieties in order to combine hyperbolic dispersion with light emission or optical gain. Beyond the compensation of the intrinsic losses of metamaterials we target the realization of innovative light-emitting devices by embedding the source in the bulk of the metamaterial, whereas most current realizations involve complex nanoscale combinations of different emissive and birefringent media.



The thesis will include the structural and optical characterization of the materials obtained, the analysis of their hyperbolic characteristics, and their integration into model optical devices. The design, synthesis and chemical characterization of the materials will be carried out by another laboratory as part of a collaboration.

Complex scattering media for the spatio-temporal characterization of ultrashort lasers

SL-DRF-20-0595

Research field : Optics - Laser optics - Applied optics
Location :

Service Laboratoire Interactions, Dynamique et Lasers

Physique à Haute Intensité

Saclay

Contact :

Fabien QUÉRÉ

Starting date : 01-10-2020

Contact :

Fabien QUÉRÉ
CEA - DRF/IRAMIS/LIDyL/PHI

01.69.08.10.89

Thesis supervisor :

Fabien QUÉRÉ
CEA - DRF/IRAMIS/LIDyL/PHI

01.69.08.10.89

Personal web page : http://iramis.cea.fr/Pisp/107/fabien.quere.html

Laboratory link : http://iramis.cea.fr/LIDYL/PHI/

Laser technology now makes it possible to generate coherent light pulses with durations down to a few tens of femtosecondes only, with an energy per pulse of up to several Joules. These laser beams are likely to exhibit spatio-temporal coupling, i.e. a spatial dependence of their temporal properties across the beam, which can considerably degrade their performances. Our team has developed over the last few years different techniques to measure the full spatio-temporal structure of such lasers. These advanced measurement techniques have been demonstrated on different lasers, including some for the most powerful systems in operation to date. The next challenges in this field of optical metrology are, on the one hand, to develop single-shot measurement techniques (that is to say requiring only one laser shot, against several hundred currently), and to develop methods to control the spatio-temporal structure of ultrashort laser beams. The objective of this thesis will be to provide solutions to these two problems, using complex scattering media, which have been studied for several years by many research groups and whose properties are now better understood. Because they introduce deterministic correlations between spatial and spectral properties of light, these media are likely to be used in different configurations to measure as well as to control the spatio-temporal properties of ultrashort laser pulses.

SL-DRF-20-0450

Research field : Physical chemistry and electrochemistry
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Florent Malloggi

Jean-Philippe RENAULT

Starting date :

Contact :

Florent Malloggi
CEA - DSM/IRAMIS/NIMBE/LIONS

+3316908 6328

Thesis supervisor :

Jean-Philippe RENAULT
CEA - DRF/IRAMIS/NIMBE/LIONS

01 69 08 15 50

Personal web page : http://iramis.cea.fr/Pisp/florent.malloggi/

Laboratory link : http://iramis.cea.fr/nimbe/lions/

SL-DRF-20-0545

Research field : Radiation-matter interactions
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Jean-Philippe RENAULT

Daniel Camparat

Starting date : 01-09-2020

Contact :

Jean-Philippe RENAULT
CEA - DRF/IRAMIS/NIMBE/LIONS

01 69 08 15 50

Thesis supervisor :

Daniel Camparat
Université Paris Saclay / Laboratoire Aimé Cotton - UMR 9188


Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=jrenault

Laboratory link : http://iramis.cea.fr/nimbe/lions/

SL-DRF-20-0386

Research field : Radiation-matter interactions
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Jean-Philippe RENAULT

Geraldine CARROT

Starting date : 01-09-2020

Contact :

Jean-Philippe RENAULT
CEA - DRF/IRAMIS/NIMBE/LIONS

01 69 08 15 50

Thesis supervisor :

Geraldine CARROT
CEA - DRF/IRAMIS/NIMBE/LICSEN

01 69 08 41 47

Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=jrenault

Laboratory link : http://iramis.cea.fr/nimbe/lions/

Fluorescence detection for remote discriminating chemical dosimetry of aplha and beta sources

SL-DRF-20-0390

Research field : Radiation-matter interactions
Location :

Service Laboratoire Interactions, Dynamique et Lasers

Saclay

Contact :

Gérard BALDACCHINO

Starting date : 01-10-2020

Contact :

Gérard BALDACCHINO
CEA - DRF/IRAMIS/LIDYL

01 69 08 57 02

Thesis supervisor :

Gérard BALDACCHINO
CEA - DRF/IRAMIS/LIDYL

01 69 08 57 02

Personal web page : http://iramis.cea.fr/Pisp/gerard.baldacchino/

Laboratory link : http://iramis.cea.fr/LIDYL/dico/

In the context of the Sanitation and Decommissioning of nuclear installations, it is important to locate very quickly alpha, beta and gamma source terms on the surfaces that can be treated, isolated and removed from the site in a regulated way. Gamma imaging is a technique that works very well now. On the other hand, the alpha or beta sources are localizable only in contact with materials, on the surface, because these emissions do not propagate over distances of more than a few cm. Fluorescence dosimetry and chemical scavenging during radiolysis processes have made tremendous progress recently. This allowed for example to highlight the effects of ionization density and Linear Energy Transfer (TEL effect) in radiolysis of water by heavy ions and alpha. Beta and alpha found in nuclear have very different TEL leading to very different yields of free radical production (H, OH, hydrated electron, HO2) and molecules (H2, H2O2), resulting from the ionization of the water. The objective of the proposed thesis is to exploit these differences by using non-toxic chemical sensors producing a fluorescent molecule detectable at long distance (objective, several meters), under laser illumination. Starting from the known chemical mechanisms, the doctoral student will have to give the experimental and applied conditions (on site) allowing the acquisition of images exploitable quickly.
Electronic excitations of borophene: novel graphical tool for the electron density

SL-DRF-20-0552

Research field : Radiation-matter interactions
Location :

Laboratoire des Solides Irradiés

Laboratoire des Solides Irradiés

Saclay

Contact :

Francesco SOTTILE

Starting date : 01-10-2020

Contact :

Francesco SOTTILE
Ecole Polytechnique - UMR 7642

0169334549

Thesis supervisor :

Francesco SOTTILE
Ecole Polytechnique - UMR 7642

0169334549

Personal web page : https://etsf.polytechnique.fr/People/Francesco

Laboratory link : https://etsf.polytechnique.fr

To describe, analyze and predict the effects of electronic excitations and the related changes in the electronic density is of paramount importance, both for the understanding of materials' properties and for designing functionalities in new frontiers applications. The density fluctuations are directly related to important physical concepts like plasma oscillations, the ideal bridge between classical physics, as described by the Maxwell equations, and quantum phenomena, like plasmonics.



In this thesis project, we propose to build an intuitive approach for the analysis of electronic excitations, based on the accurate determination and visualization of the electron density in real space and time. This will constitute a new tool for the description of electronic properties of materials. In the linear response regime, it requires complete knowledge of the polarizability. This goes well beyond the state-of-the art of calculations of spectra such as optical absorption, where only the macroscopic component is needed. We propose to develop this new tool to study the plasmonic features of borophene (single atomic plane of boron atoms), a novel 2D structure with unique features including unusual polymorphism and anisotropy, metallicity and transparency, flexibility and superconductivity.
Optimization of the plasmonic hot electrons emission from metallic nanoobjects for targeted photodynamic oncological therapies

SL-DRF-20-0295

Research field : Radiation-matter interactions
Location :

Service de Physique de l’Etat Condensé

Laboratoire d’Electronique et nanoPhotonique Organique

Saclay

Contact :

Ludovic DOUILLARD

Starting date : 01-10-2020

Contact :

Ludovic DOUILLARD
CEA - DRF/IRAMIS/SPEC/LEPO

01 69 08 36 26

Thesis supervisor :

Ludovic DOUILLARD
CEA - DRF/IRAMIS/SPEC/LEPO

01 69 08 36 26

Personal web page : http://iramis.cea.fr/Pisp/ludovic.douillard/

Laboratory link : http://iramis.cea.fr/spec/LEPO/

The interaction of a metal nanoparticle with an ultrashort laser light pulse is accompanied by an emission of hot electrons of interest for biomedical applications, especially in targeted oncology therapies. Related to the occurrence of plasmon resonances of a metal nanoparticle, this emission of hot electron manifests itself in the transparency wavelength window of the human body (red 700 nm - near infrared 1500 nm) thus allowing a wide therapeutic access. In biological environment, this electronic emission generates locally reactive oxygen species (ROS) in a micrometer radius around the source. These ROS species are the source of an important oxidative stress for the cells and are the driving agents of phototherapies under development.



The objective of this work is to optimize the production of hot electrons by a sub-wavelength metal object for photothermal and photodynamic therapies applied to breast cancer. It is an experimental work in close collaboration with a relevant partnership of physicists, chemists, biologists and oncologists (CEA, CentraleSupélec, ENS Paris Saclay, AP-HP Avicenne Hospital). It will benefit from the experience acquired by the CEA IRAMIS SPEC group in LEEM / PEEM (Low Energy Electron / PhotoEmission Electron Microscopy) microscopy, the principle of which is based on the monitoring of the distribution of electrons emitted in response to a plasmon resonance. This technique makes it possible to determine, at the scale of the individual object, the temporal dynamics of the emission of electrons, and their spatial as well as energetic distributions through their kinetic energy spectra.



Within the INSERM Plan Cancer HEPPROS project, the targeted nanoobjects optimized for an efficient emission of hot electrons, are then further covered by a biocompatible polymer for in vitro and in vivo studies on tumours of the Avicenne Hospital tumour library.



Keywords: hot electrons, oncology, phototherapy, plasmon, laser, LEEM-PEEM.



[Douillard 2017, 2012, 2011] S. Mitiche et al. J. of Phys. Chem. C 121 (2017) 4517–4523, C. Awada, et al. J. of Phys. Chem. C 16 (2012) 14591, L. Douillard, F. Charra. J. of Phys. D: Applied Physics 44 (2011) 464002, C. Hrelescu, et al. Nano Lett. 11 (2011) 402–407



Laboratoire d’accueil CEA IRAMIS SPEC UMR 3680

Correspondant CEA chargé du suivi de la thèse ludovic.douillard@cea.fr

Ecole doctorale Ondes et Matière, Univ. Paris Saclay.
Encapsulated profluorescent molecules for radioactive trace detection for nuclear dismantling

SL-DRF-20-0385

Research field : Radiation-matter interactions
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Jean-Philippe RENAULT

Thierry LEGALL

Starting date : 01-09-2020

Contact :

Jean-Philippe RENAULT
CEA - DRF/IRAMIS/NIMBE/LIONS

01 69 08 15 50

Thesis supervisor :

Thierry LEGALL
CEA - DRF/JOLIOT/SCBM/LCB / Chimie Bioorganique

01 69 08 71 05

Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=jrenault

Laboratory link : http://iramis.cea.fr/nimbe/lions/

Generation of XUV attosecond pulses for the real-time study of ultrafast gas ionization

SL-DRF-20-0601

Research field : Radiation-matter interactions
Location :

Service Laboratoire Interactions, Dynamique et Lasers

Attophysique

Saclay

Contact :

Pascal SALIERES

Starting date : 01-10-2020

Contact :

Pascal SALIERES
CEA - DRF/IRAMIS/LIDyL/ATTO

0169086339

Thesis supervisor :

Pascal SALIERES
CEA - DRF/IRAMIS/LIDyL/ATTO

0169086339

Personal web page : http://iramis.cea.fr/Pisp/pascal.salieres/

Laboratory link : http://iramis.cea.fr/LIDYL/atto/

More : http://attolab.fr/

Summary :

The student will first generate XUV attosecond pulses using an intense Titanium:Sapphire laser (ATTOLab Excellence Equipment), and then use them to investigate the ionization dynamics of atomic and molecular gases: electron ejection, electronic rearrangements in the ion, charge migration…



Detailed summary :

Recently, the generation of sub-femtosecond pulses, so-called attosecond pulses (1 as=10-18 s), has made impressive progress. These ultrashort pulses open new perspectives for the exploration of matter at unprecedented timescale. Their generation result from the strong nonlinear interaction of short intense infrared (IR) laser pulses (~20 femtoseconds) with atomic or molecular gases. High order harmonics of the fundamental frequency are produced, covering a large spectral bandwidth in the extreme ultraviolet (XUV) range. In the temporal domain, this coherent radiation forms a train of 100 attosecond pulses [1]. In order to generate isolated pulses, it is necessary to confine the generation in an ultrashort temporal window, which implies the development of various optical confinement techniques.



With such attosecond pulses, it becomes possible to investigate the fastest dynamics in matter, i.e., electronic dynamics that occur naturally on this timescale. Attosecond spectroscopy thus allows studying fundamental processes such as photo-ionization, in order to answer questions such as: how long does it take to remove one electron from an atom or a molecule? The measurement of such tiny ionization delays is currently a “hot topic” in the scientific community. In particular, the study of the ionization dynamics close to resonances gives access to detailed information on the atomic/molecular structure, such as the electronic rearrangements in the remaining ion upon electron ejection [2].



The objective of the thesis is first to generate attosecond pulses with duration and central frequency adequate for the excitation of various atomic and molecular systems. The objective is then to measure the instant of appearance of the charge particles, electrons and ions. Finally, the measurement of the photoelectron angular distribution, in combination with the temporal information, will allow the reconstruction of the full 3D movie of the electron ejection.

The experimental work will include the development and operation of a setup installed on the FAB1 laser of the ATTOLab Excellence Equipment allowing: i) the generation of attosecond XUV radiation, ii) its characterization using quantum interferometry, iii) its use in photo-ionization spectroscopy. The theoretical aspects will also be developed. The student will be trained in ultrafast optics, atomic and molecular physics, quantum chemistry, and will acquire a good mastery of charged particle spectrometry. A background in ultrafast optics, nonlinear optics, atomic and molecular physics is required.

Part of this work will be performed in collaboration with partner French and European laboratories through joint experiments in the different associated laboratories (Milano, Lund).



References :

[1] Y. Mairesse, et al., Science 302, 1540 (2003)

[2] V. Gruson, et al., Science 354, 734 (2016)
Coulomb phase in Rare-Earth hyperkagome networks

SL-DRF-20-0539

Research field : Radiation-matter interactions
Location :

Laboratoire Léon Brillouin

Groupe 3 Axes

Saclay

Contact :

SYLVAIN PETIT

Starting date : 01-10-2020

Contact :

SYLVAIN PETIT
CEA - DRF/IRAMIS/LLB/G3A

01 69 08 60 39

Thesis supervisor :

SYLVAIN PETIT
CEA - DRF/IRAMIS/LLB/G3A

01 69 08 60 39

Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=spetit

Laboratory link : http://www-llb.cea.fr/NFMQ/

The last decades in solid-state research have seen the rise of rich and novel physics, beyond the Néel paradigm and transcending conventional descriptions based on Landau theory. Frustrated magnetism has contributed to these developments in major ways, through new concepts like the “Coulomb phase”, a highly degenerate state of matter brought to light by the discovery of spin ice in rare-earth pyrochlore networks. In the following PhD proposal, our aim is to use hyperkagome networks of rare-earths to further explore and develop this new physics.



Self-assembled metamaterials made by block copolymers

SL-DRF-20-0544

Research field : Soft matter and complex fluids
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Patrick GUENOUN

Starting date : 01-10-2018

Contact :

Patrick GUENOUN
CEA - DRF/IRAMIS/NIMBE/LIONS

01-69-08-74-33

Thesis supervisor :

Patrick GUENOUN
CEA - DRF/IRAMIS/NIMBE/LIONS

01-69-08-74-33

Personal web page : http://iramis.cea.fr/Pisp/patrick.guenoun/index.html

Laboratory link : http://iramis.cea.fr/nimbe/lions/

Metamaterials are "artificial" materials which are created to reach properties inaccessible to natural homogeneous materials. Optical properties like negative refractive indices could be achieved by an adequate structuring of materials at a scale lower than the wavelength of the light. In this PhD work, we shall obtain such a structuration by combining the self-assembly of copolymers on surfaces and the insertion of gold nanoparticles in the copolymer matrix. The copolymer matrix of copolymers provides the nanostructuration and the desired geometry thanks to microphase separation on top of the substrate whereas the gold nanoparticles presence confers the expected optical properties. This PhD thesis project in collaboration between LIONS at CEA Saclay (U. P. Saclay) and the Paul Pascal Research Center (CRPP) in Bordeaux will benefit from both environments to lead an experimental study which will consist in preparing surfaces where cylindrical or bicontinuous phases of copolymers will be directed perpendicularly to the substrate. After synthesis in the laboratory and insertion of gold nanoparticles in the structures, the optical properties of the obtained material will be measured and analyzed for modeling.

SL-DRF-20-0434

Research field : Soft matter and complex fluids
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Florent Malloggi

Fabienne TESTARD

Starting date :

Contact :

Florent Malloggi
CEA - DSM/IRAMIS/NIMBE/LIONS

+3316908 6328

Thesis supervisor :

Fabienne TESTARD
CEA - DRF/IRAMIS/NIMBE/LIONS

01 69 08 96 42

Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=jrenault

Laboratory link : http://iramis.cea.fr/nimbe/lions/

Taking up the challenge of the glass transition by optical manipulations of molecules.

SL-DRF-20-0287

Research field : Soft matter and complex fluids
Location :

Service de Physique de l’Etat Condensé

Systèmes Physiques Hors-équilibre, hYdrodynamique, éNergie et compleXes

Saclay

Contact :

David CARRIÈRE

François LADIEU

Starting date : 01-10-2020

Contact :

David CARRIÈRE
CEA - DRF/IRAMIS/NIMBE/LIONS

0169085489

Thesis supervisor :

François LADIEU
CEA - DRF/IRAMIS

01 69 08 72 49

Personal web page : http://iramis.cea.fr/Pisp/francois.ladieu/

Laboratory link : http://iramis.cea.fr/Phocea/Vie_des_labos/Ast/ast_groupe.php?id_groupe=214

More : http://iramis.cea.fr/Pisp/david.carriere/

According to the Nobel Prize awardee P.W. Anderson “The deepest and most interesting unsolved problem in solid state theory is probably the nature of glass and the glass transition”. This sentence reflects the fact that we still do not know if glasses are a true thermodynamic phase of matter or, on the contrary, if they are just out of equilibrium liquids which have become too viscous to flow on human time scales. Finding the answer to this seemingly simple question is hampered by the fact that, when decreasing temperature, the relaxation time of glass forming liquids becomes so large that one cannot rely onto the experimental techniques used to evidence standard thermodynamic phase transitions (e.g. liquid/gas transition or liquid/crystal transition). By using a totally new approach we aim at unveiling the nature of the glass transition, which is of great importance both for fundamental physics and for applications, since glasses play an increasing role in modern technologies (e.g. in optical fibers for communications, in photovoltaic devices, or in airplanes fuselages).

More precisely, we have just built an experiment corresponding to the “ideal thought experiment” proposed recently by some theorists, so as to unveil the presence or the absence of a true thermodynamic glass transition. In this experiment a fraction of molecules, randomly chosen in space, is pinned and one monitors the response of the rest of the liquid: if this pinning of a small fraction of molecules changes the global dynamics of the liquid, this means unambiguously that an order was present before establishing the pinning field, even though the extremely complex nature of this order had made it impossible to evidence by standard experimental tools. The approach that we have built involves: i) designing the optically sensitive molecules; ii) building an optical setup allowing the realize pinning in the well-chosen liquid; iii) comparing the experimental results to the theoretical predictions. The internship and/or the thesis consists in working onto the improvment and the exploitation of this experiment.

This project is a collaboration gathering all the required expertise between physicists, chemists, and theoreticians working at CEA Saclay –near Paris- and in the University of Montpellier. The internship and/or the thesis will mainly take place in the NIMBE/LIONS and SPEC/SPHYNX laboratories in the CEA center of Saclay. We are looking for a candidate who, by relying onto the expertise available in the laboratories, really wants to invest herself/himself onto this project by providing us his/her skills in experimental physics (mainly optics, and dielectric spectroscopy).

Synthesis and study of the optoelectronic properties of heterostructures of two-dimensional semiconductor materials

SL-DRF-20-0521

Research field : Solid state physics, surfaces and interfaces
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences

Saclay

Contact :

Vincent DERYCKE

Starting date : 01-10-2020

Contact :

Vincent DERYCKE
CEA - DRF/IRAMIS/NIMBE/LICSEN

0169085565

Thesis supervisor :

Vincent DERYCKE
CEA - DRF/IRAMIS/NIMBE/LICSEN

0169085565

Personal web page : http://iramis.cea.fr/Pisp/vincent.derycke/

Laboratory link : http://iramis.cea.fr/nimbe/licsen/index.php

Two-dimensional (2D) materials, whose thickness is of atomic dimension (such as graphene for example), have constituted a distinct field of research since 2004. This field is exceptionally dynamic, both fundamentally and in terms of application prospects. Among the 2D materials, monolayers of transition metal dichalcogenides (TMDCs) such as MoS2, MoTe2, WSe2, SnS2, HfS2 ... are ultra-thin semiconductors with particularly interesting properties for electronics, optics or in the field of new energies. Even more remarkably, these 2D materials can be combined with each other to form van der Waals heterostuctures (HS-vdW) and thus lead to the formation of a palette of completely new materials with adjustable properties. Specifically, in the broad family of two-dimensional TMDCs, the project will focus on the combination of direct-gap semiconductor materials with respectively low and high electron affinity to form ultrathin type-II heterostructures. Under illumination, these heterostructures will lead to efficient separation of photo-generated charges, a key phenomenon for photodetectors and photovoltaic devices and for photo-catalysis for example. In this context, this thesis project includes: (1) the synthesis of different 2D semiconductors (MoS2, WS2, SnS2) by CVD (chemical vapor deposition) and their association in vertical or lateral heterostructures, (2) the detailed characterization of the physical and chemical properties of individual materials and heterostructures, (3) the evaluation of the potential of these heterostructures for optoelectronic and catalysis applications. This last aspect will involve the realization and the study of devices such as transistors and phototransistors based on 2D heterostructures, whose operating modes and performances will be studied in detail.
Multifunctional material for the energy transition and opto-spintronics, based on N-doped BaTiO3

SL-DRF-20-0269

Research field : Solid state physics, surfaces and interfaces
Location :

Service de Physique de l’Etat Condensé

Laboratoire Nano-Magnétisme et Oxydes

Saclay

Contact :

Antoine BARBIER

Starting date : 01-10-2019

Contact :

Antoine BARBIER
CEA - DRF/IRAMIS/SPEC/LNO

01.69.08.39.23

Thesis supervisor :

Antoine BARBIER
CEA - DRF/IRAMIS/SPEC/LNO

01.69.08.39.23

Personal web page : http://iramis.cea.fr/Pisp/antoine.barbier/

Laboratory link : http://iramis.cea.fr/spec/LNO/

N-doped oxides and/or oxinitrides constitute a booming class of compounds with a broad spectrum of useable properties and in particular for novel technologies of carbon-free energy production and optoelectronics. The insertion of nitrogen in the crystal lattice of an oxide semiconductor allows modulating the value of the optical band gap, enabling new functionalities. The production of corresponding single crystalline thin films is highly challenging. In this thesis work, single crystalline N-doped oxides heterostructures will be grown by atomic plasma-assisted molecular beam epitaxy. BaTiO3 will provide ferroelectricity and a favorable absorption spectrum while an additional ferrimagnetic ferrite will give an artificial (opto)multiferroic character. The resulting structures will be investigated with respect to their ferroelectric characteristics, their magneto-electric and optoelectronic couplings and their performances in solar water splitting photo-electrolysis, as a function of the N doping. These observations will be correlated with a detailed understanding of crystalline and electronic structures.



The student will acquire skills in ultra-high vacuum techniques, molecular beam epitaxy, magnetometry and photo-electrolysis as well as in state of the art synchrotron radiation techniques.
new material for energy: oxynitride thin fims for photoelectrodes

SL-DRF-20-0533

Research field : Solid state physics, surfaces and interfaces
Location :

Service de Physique de l’Etat Condensé

Laboratoire Nano-Magnétisme et Oxydes

Saclay

Contact :

Hélène MAGNAN

Antoine BARBIER

Starting date : 01-10-2020

Contact :

Hélène MAGNAN
CEA - DRF/IRAMIS/SPEC/LNO

01 69 08 94 04

Thesis supervisor :

Antoine BARBIER
CEA - DRF/IRAMIS/SPEC/LNO

01.69.08.39.23

Personal web page : http://iramis.cea.fr/Pisp/helene.magnan/

Laboratory link : http://iramis.cea.fr/spec/LNO/

More : http://iramis.cea.fr/Phocea/Vie_des_labos/Ast/ast_visu.php?id_ast=1996&id_unit=0&id_groupe=196

From spectra to total energies: a new approach to calculate the electronic ground state

SL-DRF-20-0554

Research field : Solid state physics, surfaces and interfaces
Location :

Laboratoire des Solides Irradiés

Laboratoire des Solides Irradiés

Saclay

Contact :

Lucia REINING

Starting date : 01-10-2020

Contact :

Lucia REINING
CNRS - LSI/Laboratoire des Solides Irradiés

0169334553

Thesis supervisor :

Lucia REINING
CNRS - LSI/Laboratoire des Solides Irradiés

0169334553

Personal web page : https://etsf.polytechnique.fr/People/Lucia

Laboratory link : https://etsf.polytechnique.fr

The total energy of a system, and total energy differences, are at the basis of numerous key properties of materials, such as their stability or compressibility, and influence phenomena all over physics, chemistry or biology, such as protein folding. Theoretical predictions are crucial for materials design, but in many cases, the required precision is not reachable with the available computational resources.



The aim of the proposed thesis is to explore a novel way for the calculation of total energies, which makes use of the fact that many details of the ground state wavefunction are integrated out when the energy is calculated. Starting from standard many-body pertubation theory, the equations that lead to the total energy are modified from the very beginning in such a way that contributions which should integrate out are never calculated. On the basis of the developments of this formalism, which is ongoing in the group, an important part of the thesis project is to design and realize the numerical implementation. In order to be applicable to realistic systems, this novel approach will be included in a parallel, scalable ab intio code, as well integrated into a bigger platform.
Thermally charged ionic supercapacitor with VACNT - Vertically aligned carbon nanotube electrodes

SL-DRF-20-0511

Research field : Solid state physics, surfaces and interfaces
Location :

Service de Physique de l’Etat Condensé

Systèmes Physiques Hors-équilibre, hYdrodynamique, éNergie et compleXes

Saclay

Contact :

Sawako NAKAMAE

Starting date : 01-10-2020

Contact :

Sawako NAKAMAE
CEA - DRF/IRAMIS/SPEC/SPHYNX

0169087538

Thesis supervisor :

Sawako NAKAMAE
CEA - DRF/IRAMIS/SPEC/SPHYNX

0169087538

Personal web page : http://iramis.cea.fr/Pisp/sawako.nakamae/

Laboratory link : https://iramis.cea.fr/spec/sphynx/

Experimental research project in the field of renewable energy science (waste-heat recovery). Study, development and characterization of ionic-liquid supercapacitors, made with nanostructured carbon électrodes (VACNT : vertically aligned carbon nanotube).



Domain: Physics, Materials Science, Fluid Physics, Physical Chemistry.
Nickelates: a New Superconducting Oxide Family

SL-DRF-20-0520

Research field : Solid state physics, surfaces and interfaces
Location :

Service de Physique de l’Etat Condensé

Laboratoire Nano-Magnétisme et Oxydes

Saclay

Contact :

Dorothée COLSON

Jean-Baptiste MOUSSY

Starting date : 01-10-2020

Contact :

Dorothée COLSON
CEA - DRF/IRAMIS/SPEC/LNO

01 69 08 73 14

Thesis supervisor :

Jean-Baptiste MOUSSY
CEA - DRF/IRAMIS

01-69-08-72-17

Personal web page : http://iramis.cea.fr/Pisp/dorothee.colson/

Laboratory link : http://iramis.cea.fr/spec/lno/

The discovery of high-Tc superconductivity in cuprates [1] has motivated the study of oxides with similar crystalline and electronic structure with the aim of finding additional superconductors and understanding the origins of this unconventional superconductivity. Isostructural examples include the superconducting Sr2RuO4 ruthenate or the electron-doped Sr2IrO4 iridate even if a zero-resistance state has not yet been observed in this last compound [2]. Recently, the superconductivity in the infinite layer Nd0.8Sr0.2NiO2 nickelate [3] has also been observed by using a soft-chemistry topotactic reduction of the perovskite precursor phase. The discovery of this superconducting phase (around 10-15 K) should allow to progress in the understanding of the mechanisms involved in high-Tc superconductors.



During this PhD thesis, the student will perform the crystalline growth of pure and (Nd/Sr) substituted NdNiO3(001) thin films on single-crystal SrTiO3(001) substrates by pulsed laser deposition (PLD). Once grown, the student will test reducing treatments allowing the formation of the expected infinite layer phase. A peculiar attention will be given to the structural and physical properties of oxide thin films by using in situ electron diffraction (RHEED), photoemission spectroscopy (XPS/UPS) or ex situ techniques such as near-field microspcopy (AFM), magnetism (SQUID, VSM). The electronic properties of samples will then be studied as a function of temperature (resistivity, Hall coefficient, current-voltage characteristics) in order to analyze the superconducting behavior.



[1] J. G. Bednorz and K. A. Müller, Z. Phys. B 64, 189 (1986).

[2] Y.J. Yan et al., Phys. Rev. X. 5, 041018 (2015).

[3] D. Li et al. Nature. 572, 624 (2019).
Local mapping of the magnetic response of materials

SL-DRF-20-0289

Research field : Solid state physics, surfaces and interfaces
Location :

Service de Physique de l’Etat Condensé

Laboratoire Nano-Magnétisme et Oxydes

Saclay

Contact :

Aurélie Solignac

Myriam PANNETIER-LECOEUR

Starting date : 01-09-2020

Contact :

Aurélie Solignac
CEA - DRF/IRAMIS/SPEC/LNO

01 69 08 95 40

Thesis supervisor :

Myriam PANNETIER-LECOEUR
CEA - DRF/IRAMIS/SPEC/LNO

01 69 08 74 10

Personal web page : http://iramis.cea.fr/spec/Phocea/Pisp/index.php?nom=aurelie.solignac

Laboratory link : http://iramis.cea.fr/spec/lno/

More : https://www.speclno.org/

For some materials that have a magnetic response and in particular steels, mechanical and magnetic properties are correlated via the microstructure. The measurement of magnetic properties at the local scale could therefore provide non-destructive access to the mechanical properties of materials and a better understanding of their microstructure. In order to obtain additional contrasts, it is possible to use frequency response mapping when applying an alternating magnetic field (magnetic susceptibility).

A local scale magnetic mapping tool has been developed by combining magnetoresistive magnetic sensors and a scanner. The use of the giant magnetoresistance effect (GMR) allows the development of very sensitive magnetic sensors, detecting magnetic fields of the order of nT/vHz and whose size can be submicronic. The specificity of the system is that three or four sensors positioned on a pyramidal support scan the surface in order to measure the three components of the stray field emitted by the surface of the materials and thus to carry out a 3D mapping with a lateral resolution of the order of ten micrometers.

The thesis will consist in the adaptation of this imager in order to allow the mapping of the magnetic susceptibility of material surfaces over a very wide spectral dynamic range (from DC to 100MHz). In addition to the emission of the AC field and the appropriate detection electronics, Tunnel MagnetoResistance (TMR) sensors will be developed and integrated on the imager. Indeed, TMRs sensors have a better sensitivity than GMRs by a factor of about 20 at high frequency. The problems of surface-to-sensor distance control and temperature drift will also be addressed.

In a second step, calibration samples will be imaged in order to obtain the input data for the theoretical model already developed and thus allow the evaluation by simulations of the magnetic field distributions in ferromagnetic materials, in order to interpret the experimental results.

The study will then focus on systems of particular interest. Two applications are potentially targeted: ferromagnetic steels to correlate magnetic properties with mechanical properties and with other characterization techniques such as Barkhausen noise measurements. The second system concerns the performance evaluation of the imager and sensors developed for the detection of defects at the edges of metal parts under construction by additive manufacturing and in particular the differentiation of fused and non-fused areas.

Surface states and charge transfer impact on the kinetics of the oxidation evolution reaction (OER) at the hematite / electrolyte interface in a solar water splitting reaction

SL-DRF-20-0658

Research field : Solid state physics, surfaces and interfaces
Location :

Service de Physique de l’Etat Condensé

Laboratoire Nano-Magnétisme et Oxydes

Saclay

Contact :

Dana STANESCU

Gheorghe Sorin Chiuzbaian

Starting date : 01-10-2020

Contact :

Dana STANESCU
CEA - DRF/IRAMIS/SPEC/LNO

01 69 08 75 48

Thesis supervisor :

Gheorghe Sorin Chiuzbaian
Université Sorbonne, Université Pierre et Marie Curie - Laboratoire de Chimie Physique Matière et Rayonnement

+33 1 44 27 66 15

Personal web page : http://iramis.cea.fr/Pisp/dana.stanescu/

Hydrogen production by water splitting is a clean and viable approach, but it is very greedy in electrical energy. To reduce the energy input we study the possibility of using solar radiation. Absorbed by identified and optimized semiconducting oxides, solar radiation generates electron-hole pairs that will participate in the redox reactions in a solar water splitting process1,2.

Hematite is the prototypical semiconductor material used as a photoanode. Hematite is very abundant, not expensive and with low environmental impact, assets that should be considered with particular attention nowadays. Significant progress has been made to improve the properties of hematite for a more efficient photoelectrolysis reaction2–5. Nevertheless, compared with materials with higher efficiencies6, hematite appears to be less effective due to the reduced holes mean free path2 and to the poor kinetics at the hematite / electrolyte interface during the oxidation7,8. The existence of surface states prevents a direct transfer of the holes in the electrolyte during the water oxidation9. Optimizing surface kinetics by controlling these surface states is therefore the key for hematite efficiency increasing when it is used as photoanode10.

We propose a study aiming at understanding and optimizing the surface kinetics and the time stability of hematite-based photoanodes, at both macro and nano-meter scales and under real working conditions, i.e. during the photoelectrochemical reaction. The hematite nanowires will be deposited by aqueous chemical growth (ACG11). Different surface treatments (ionic abrasion, chemical etching, annealing, surface functionalization, etc.) will be tested and analyzed to improve surface kinetics. Combining scanning transmission X-ray microscopy (STXM) and electron microscopy (TEM12 and ESEM13,14), in operando, using a dedicated electrochemical cell containing hematite nanowires as working electrode, will allow us to determine the chemical composition and the electronic structure at the nanoscale, during the oxidation. This approach will highlight and quantify the surface states responsible for the low OER kinetics of the hematite. Microscopy results will be correlated with the photoelectrochemical activity of photoanodes measured on dedicated photocurrent setup, the surface morphology will be measured by atomic force microscopy (AFM) and SEM and the surface potential measured by Kelvin Probe Force Microscopy (KPFM). In the end, this study should provide specific solutions to improve the efficiency of hematite-based photoanodes for solar water splitting.

1. Fujishima, A. & Honda, K. Nature 238, 37–38 (1972).

2. Krol, R. va de & Grätzel, M. (Springer, 2012).

3. Rioult, M., Magnan, H., Stanescu, D. & Barbier, A. J. Phys. Chem. C 118, (2014).

4. Rioult, M., Stanescu, D., Fonda, E., Barbier, A. & Magnan, H. J. Phys. Chem. C 120, 7482–7490 (2016).

5. Rioult, M., Belkhou, R., Magnan, H., Stanescu, D., Stanescu, S., Maccherozzi, F., Rountree, C. & Barbier, A. Surf. Sci. 641, 310–313 (2015).

6. Kalanoor, B. S., Seo, H. & Kalanur, S. S. Mater. Sci. Energy Technol. 1, 49–62 (2018).

7. Tamirat, A. G., Rick, J., Dubale, A. A., Su, W. N. & Hwang, B. J. Nanoscale Horizons vol. 1 243–267 (2016).

8. Glasscock, J. A., Barnes, P. R. F., Plumb, I. C. & Savvides, N. J. Phys. Chem. C 111, 16477–16488 (2007).

9. Iandolo, B., Wickman, B., Zoric, I. & Hellman, A. J. Mater. Chem. A 3, 16896–16912 (2015).

10. Zhang, J. & Eslava, S. Sustainable Energy and Fuels vol. 3 1351–1364 (2019).

11. Vayssieres, L. International Journal of Nanotechnology vol. 1 1–41 (2004).

12. Ortiz Peña, N., Ihiawakrim, D., Han, M., Lassalle-Kaiser, B., Carenco, S., Sanchez, C., Laberty-Robert, C., Portehault, D. & Ersen, O. ACS Nano 13, 11372–11381 (2019).

13. https://axlr.com/offres-technologies/celdi/.

14. http://www.newtec.fr/fr/celdi/.
Uranium detection at trace level in water

SL-DRF-20-0465

Research field : Solid state physics, surfaces and interfaces
Location :

Laboratoire des Solides Irradiés

Laboratoire des Solides Irradiés

Saclay

Contact :

Marie-Claude CLOCHARD

Starting date : 01-10-2020

Contact :

Marie-Claude CLOCHARD
CEA - DRF/IRAMIS/LSI/LSI

0169334526

Thesis supervisor :

Marie-Claude CLOCHARD
CEA - DRF/IRAMIS/LSI/LSI

0169334526

Personal web page : http://iramis.cea.fr/Phocea/Membres/Annuaire/index.php?uid=clochard

Laboratory link : https://portail.polytechnique.edu/lsi/fr/recherche/physique-et-chimie-des-nano-objets

More : https://portail.polytechnique.edu/lsi/fr/recherche/physique-et-chimie-des-nano-objets/elaboration-de-membranes-polymeres-nanoporeuses

72% of french nuclear plants are 31 to 40 years old. Even if an extension of their lifetime is now on study, their dismantlement should be considered. The study of soil pollution by heavy metals from aqueous soil leachates (rain waters - NF-EN-12457-2) should address on-site analyses with reliable and ultrasensitive methods. Since a decade, the LSI is developping a sensor of heavy metal ions based on nanoporous polymer membranes able to trap numerous metal ions by complexation with chemical functions localized in the porosity by radio-induced grafting. A peculiar focus on Uranium ions detection in different waters (fresh and salted) will be studied by analytical techniques dealing with electrochemistry, photoluminescence and spectroscopy such ICP-MS. New functionalities and/or improvement of the nanoporous sensors (fabrication process and functioning)will be also investigated.
Ab initio simulation of transport phenomena in atomic-scale junctions

SL-DRF-20-0372

Research field : Solid state physics, surfaces and interfaces
Location :

Service de Physique de l’Etat Condensé

Groupe Mésocopie Modélisation et Thermoélectricité

Saclay

Contact :

Alexander SMOGUNOV

Starting date : 01-09-2019

Contact :

Alexander SMOGUNOV
CEA - DRF/IRAMIS/SPEC/GMT

0169083032

Thesis supervisor :

Alexander SMOGUNOV
CEA - DRF/IRAMIS/SPEC/GMT

0169083032

Personal web page : http://iramis.cea.fr/Pisp/alexander.smogunov/

Laboratory link : http://iramis.cea.fr/spec/GMT

We will develop a code for theoretical study of transport phenomena in open quantum nanosystems made of two generic macroscopic reservoirs connected by a single atomic-scale junction – the subject of great interest from both fundamental point of view but also for various technological applications.



Two macroscopic electrodes could be, for example, semi-infinite metallic (magnetic) surfaces or two-dimensional materials (such as graphene) with in-plane transport regime, while a junction could be a chain of atoms or a single (magnetic) molecule. Several transport channels across a junction, such as electron or phonon (atomic vibrations) propagation, will be treated on the same quantum-mechanical footing using Non-equilibrium Green’s functions formalism [1]. The code will be based on realistic tight-binding model with parameters extracted from ab initio DFT (Density Functional Theory) calculations. The main DFT tool to be used is the Quantum ESPRESSO (QE) package [2] – one of the most accurate electronic structure codes based on plane wave expansion of electronic wave functions. Our code will be an extension of quantum transport code PWCOND [3] (which is a part of QE) to address more general transport phenomena and to treat larger scale quantum systems. It should allow, in particular, to evaluate electronic and thermal currents as a function of applied voltage or temperature gradients and thus to explore various thermoelectric phenomena. In addition, electron-electron or electron-phonon interactions inside the junction could be naturally incorporated into the model which would make possible to address also the Kondo physics or to investigate energy conversion and exchange mechanisms between electronic and phononic degrees of freedom.



[1] J. C. Cuevas and E. Scheer, Molecular Electronics: An Introduction to Theory and Experiment, World Scientific (2010)

[2] P. Giannozzi et al., QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials, Phys.: Condens. Matter 21, 395502 (2009)

[3] A. Smogunov, A. Dal Corso, E. Tosatti, Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudo-potentials, Phys. Rev. B 70, 045417 (2004)

Non-classical crystallization of materials for the environment: clarification of the amorphous-crystal relation by new generation synchrotron techniques.

SL-DRF-20-0572

Research field : Ultra-divided matter, Physical sciences for materials
Location :

Service Nanosciences et Innovation pour les Materiaux, la Biomédecine et l’Energie

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire

Saclay

Contact :

Corinne CHEVALLARD

David CARRIÈRE

Starting date : 01-11-2020

Contact :

Corinne CHEVALLARD
CEA - DRF/IRAMIS/NIMBE/LIONS

01-69-08-52-23

Thesis supervisor :

David CARRIÈRE
CEA - DRF/IRAMIS/NIMBE/LIONS

0169085489

Personal web page : http://iramis.cea.fr/Pisp/68/david.carriere.html

Laboratory link : http://iramis.cea.fr/nimbe/lions/

More : http://iramis.cea.fr/Pisp/78/corinne.chevallard.html

The formation of crystals by reactions in solution is involved in many natural and industrial processes, and in particular in the synthesis of materials of interest for the environment: nanostructured oxides for catalysis, oxalates for the recycling of rare earths, carbonates for the sequestration of atmospheric CO2.

In these applications, it is necessary to control the final crystals in terms of kinetics of formation, size (s), state of aggregation, and crystalline type in case of polymorphism. But the control of these processes is hampered because these crystallizations involve amorphous intermediates which are completely ignored by the usual theoretical guides (classical theories of nucleation / growth). The nature of the corrections to be brought to the conventional approaches is unclear since it is very difficult to measure the events during the reaction, from the initial ions, via the amorphous intermediates, to the final crystals, at sufficiently short time scales (<< ms) and sufficiently wide spatial scales (from Ångström to several tens of micrometers).

The objective of this thesis is to solve the knowingly difficult problem of measuring the non-classical crystallizations in water. The originality is to rely on the techniques now available thanks to the advent of fourth-generation synchrotrons: i) characterization of reaction times shorter by three orders of magnitude compared to the state of the art, achieving measurements in microfluidic fast mixers; and (ii) characterization at all spatial scales, with both resolutions and spatial expansions one to two orders of magnitude better than the state of the art, thanks to small angles X-ray scattering cartography.

 

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