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PhD subjects

24 sujets IRAMIS/NIMBE

Dernière mise à jour :


• Atomic and molecular physics

• Biotechnologies,nanobiology

• Chemistry

• Electrochemical energy storage incl. batteries for energy transition

• Health and environment technologies, medical devices

• Numerical simulation

• Physical chemistry and electrochemistry

• Radiation-matter interactions

• Ultra-divided matter, Physical sciences for materials

 

Photocatalytic deoxygenation of fatty esters: towards the production of biosourced alcanes

SL-DRF-24-0431

Location :

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

Laboratoire de Chimie Moléculaire et de Catalyse pour l’Energie

Saclay

Contact :

Lucile ANTHORE

Starting date : 01-10-2024

Contact :

Lucile ANTHORE
CEA - DRF/IRAMIS/NIMBE/LCMCE

01 69 08 91 59

Thesis supervisor :

Lucile ANTHORE
CEA - DRF/IRAMIS/NIMBE/LCMCE

01 69 08 91 59

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

Laboratory link : https://iramis.cea.fr/Pisp/thibault.cantat/

Alkanes are essential molecules in the energy sector (fuels), as well as in specialty chemicals (cosmetics, adhesives, etc.) and fine chemicals. Today, they are mainly derived from non-renewable fossil resources, and their use contributes to climate change through the production of carbon dioxide. To achieve carbon neutrality, producing alkanes from renewable carbon sources such as biomass would appear to be an attractive alternative. In biomass, fatty esters of the RCO2R' type have long alkyl chains, but the presence of oxygen atoms means they are not a direct substitute for petroleum-based alkanes.

The aim of this thesis is to develop homogeneous catalytic systems for the photocatalytic deoxygenation of esters into the corresponding alkanes, by simple extrusion of a CO2 molecule. The energy required for the reduction reaction will be provided by light. Throughout this thesis project, the focus will be on developing catalytic systems and understanding reaction mechanisms through experimental studies (kinetics, NMR studies, observation of reaction intermediates, etc.) combined with theoretical chemistry (DFT calculations).
In situ and real time characterization of nanomaterials by plasma spectroscopy

SL-DRF-24-0388

Research field : Atomic and molecular physics
Location :

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

Laboratoire Edifices Nanométriques (LEDNA)

Saclay

Contact :

Marc BRIANT

Yann LECONTE

Starting date : 01-10-2024

Contact :

Marc BRIANT
CEA - DRF/IRAMIS/NIMBE

01 69 08 53 05

Thesis supervisor :

Yann LECONTE
CEA - DRF/IRAMIS/NIMBE/LEEL

0169086496

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

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

The objective of this Phd is to develop an experimental device to perform in situ and real time elemental analysis of nanoparticles during their synthesis (by laser pyrolysis or flame spray pyrolysis). Laser-Induced Breakdown Spectroscopy (LIBS) will be used to identify the different elements present and to determine their stoichiometry.

Preliminary experiments conducted at LEDNA have shown the feasibility of such a project and in particular the acquisition of a LIBS spectrum of a single nanoparticle. Nevertheless, the experimental device must be developed and improved in order to obtain a better signal to noise ratio, to decrease the detection limit, to take into account the different effects on the spectrum (effect of nanoparticle size, complex composition or structure), to automatically identify and quantify the elements present.

In parallel, other information can be sought (via other optical techniques) such as the density of nanoparticles, the size or shape distribution.
Nano-object simulations in biological media

SL-DRF-24-0362

Research field : Biotechnologies,nanobiology
Location :

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

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire (LIONS)

Saclay

Contact :

Yves BOULARD

Jean-Philippe RENAULT

Starting date : 01-09-2024

Contact :

Yves BOULARD
CEA - DRF/JOLIOT/I2BC/

+33 169083584

Thesis supervisor :

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

01 69 08 15 50

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

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

Understanding the non-specific or specific interactions between biomolecules and nanomaterials is key to the development of safe nanomedicines and nanoparticles. Indeed, adsorption of biomolecules is the first process occurring after the introduction of biomaterials into the human body, which controls their biological response. In this thesis, we will simulate the interface between nanosystems and biomolecules on a scale of a hundred nanometers, using the new exascale computing resources available at the CEA from 2025 (Jules Verne machine installed at the CCRT).
High performance graphene for non-metallic contact in perovskite devices

SL-DRF-24-0903

Research field : Chemistry
Location :

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

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences (LICSEN)

Saclay

Contact :

Frédéric Oswald

Starting date : 01-10-2024

Contact :

Frédéric Oswald
CEA - DRF/IRAMIS/NIMBE/LICSEN

01 69 08 21 49

Thesis supervisor :

Frédéric Oswald
CEA - DRF/IRAMIS/NIMBE/LICSEN

01 69 08 21 49

Personal web page : https://iramis.cea.fr/Pisp/frederic.oswald/

Laboratory link : https://iramis.cea.fr/NIMBE/LICSEN/

Despite their many positive impacts, PV panels production face threat of sustainability of growth in terms of raw materials, energy, and environment. The PV industry is very dependent on critical raw materials and this dependence is getting worse as the production and consumption of solar panels are increasing considerably.

The main goal of this project is to develop the next generation of transparent/non-transparent conductive layers based on non- critical raw materials. These layers will be used as contact, interconnections in innovative solar panels. Guiding principle of this project is to construct competitive high quality/low-cost conductive line to replace silver contact. Due to these outstanding properties, Graphene could play an essential role in replacing critical material and enhancing electrical conductivity. This Ph-D project will be devoted to the development of low and high temperature conductive graphene inks. These inks will be designed for serigraphy, inkjet, or any suitable low-cost printing deposition techniques to print contact and interconnection. i) Inks properties in terms of composition, viscosity will be tuned. ii) The behavior of printed conductive ink will be investigated after being exposed to different stress (mechanical, temperature, moisture, electrical, light, oxygen….). iii) Finally the focus will be on conductivity characterization as a function of electrode morphology (thickness, porosity, …) and mechanical resistance. The overall aim is to optimize conductivity, mechanical resistance, and durability and finally incorporate these improvement in perovskite solar cells.
Synthesis and properties of water-soluble graphene quantum dots

SL-DRF-24-0013

Research field : Chemistry
Location :

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

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences (LICSEN)

Saclay

Contact :

Stéphane CAMPIDELLI

Starting date : 01-10-2024

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. We will focus on their solubilty in water in order to study potential applications in biology. This project will be developed in collaboration with Physicists so the candidate will work in a multidisciplinary environment.
Hyperpolarised, continuous-mode NMR based on parahydrogen and grafted catalysts

SL-DRF-24-0590

Research field : Chemistry
Location :

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

Laboratoire Structure et Dynamique par Résonance Magnétique (LCF)

Saclay

Contact :

Gaspard HUBER

Starting date : 01-10-2024

Contact :

Gaspard HUBER
CEA - DRF/IRAMIS/NIMBE/LSDRM

01 69 08 64 82

Thesis supervisor :

Gaspard HUBER
CEA - DRF/IRAMIS/NIMBE/LSDRM

01 69 08 64 82

Personal web page : https://iramis.cea.fr/Pisp/gaspard.huber/

Laboratory link : https://iramis.cea.fr/nimbe/

More : https://iramis.cea.fr/Pisp/104/stephane.campidelli.html

Nuclear Nuclear magnetic resonance (NMR) is a robust, non-invasive technique of analysis. It provides valuable information about chemical reactions, which can then be better characterised and optimised. However, NMR is poorly sensitive, and low-concentrated solutes, such as intermediates of reaction, may be unobservable by conventional NMR. One method known to drastically but temporarily increase the sensitivity of NMR is to create a hyperpolarised state in the system of nuclear spins, i.e. a polarisation much greater than that accessible with available magnetic fields. One hyperpolarisation method uses the specific properties of parahydrogen. A catalyst is required to add parahydrogen to a multiple bond or a metal.

The present thesis will investigate the combined contribution of (i) parahydrogen-based hyperpolarisation [1], (ii) the grafting of the appropriate catalyst onto nanoparticles [2], and (iii) a continuous analysis method [3] to detect and identify chemical intermediates, areas in which the laboratory has acquired experience. This subject involves a major investment in instrumentation, as well as skills in synthetic chemistry and NMR.

The thesis will be carried out at NIMBE, a joint CEA/CNRS unit at CEA Saclay. The hyperpolarised NMR and the synthesis will take place under the respective responsibility of Gaspard HUBER, from LSDRM, and Stéphane CAMPIDELLI, from LICSEN. These two NIMBE laboratories are located in nearby buildings.

References:
[1] Barskiy et al, Prog. Nucl. Magn. Reson. Spectrosc. 2019, 33, 114-115,.
[2] Hijazi et al., Org. Biomol. Chem., 2018, 16, 6767-6772.
[3] Carret et al., Anal. Chem. 2018, 90, 11169-11173.
Novel membranes based on 2D nanosheets

SL-DRF-24-0510

Research field : Chemistry
Location :

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

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences (LICSEN)

Saclay

Contact :

Jean-Christophe Gabriel

Starting date : 01-10-2024

Contact :

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

0676043559

Thesis supervisor :

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

0676043559

Personal web page : https://iramis.cea.fr/Pisp/jean.gabriel/

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

More : https://iramis.cea.fr/nimbe/

This thesis project aims to exfoliate new nanostructured architectures based on two-dimensional inorganic phases. These nanostructures will be designed for filtration devices and tested using our microfluidic platform. The target application is water purification and the selective separation of metal ions. The doctoral student will interact with chemists, physicists and electrochemists in a real multidisciplinary environment, on a fundamental research subject directly connected to application needs. Thus, during his thesis, the student will be exposed to a multidisciplinary environment and brought to carry out experiments in various fields such as inorganic chemistry, physical chemistry, micro / nano-fabrication and nano-characterization methods. In In this context, this project should potentially lead to significant societal benefits.

For the realization of the latter, he will have access to a very wide and varied range of equipment ranging from optical microscopes to the latest generation synchrotron (ESRF), including field effect or electron microscopes and galvanostats.

This thesis is therefore an excellent opportunity for professional growth, both in terms of your knowledge and your skills.
Porous materials integrated into devices for glycomic analysis in hospitals.

SL-DRF-24-0442

Research field : Chemistry
Location :

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

Laboratoire Edifices Nanométriques (LEDNA)

Saclay

Contact :

Marc MALEVAL

Martine Mayne

Starting date : 01-10-2024

Contact :

Marc MALEVAL
CEA - DRF/IRAMIS/NIMBE/LEDNA

0169084933

Thesis supervisor :

Martine Mayne
CEA - DRF/IRAMIS/NIMBE

01 69 08 48 47

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

Laboratory link : https://iramis.cea.fr/NIMBE/LEDNA/

Glycomics involves identifying oligosaccharides (OS) present in a biological fluid as a source of biomarkers for diagnosing various pathologies (cancers, Alzheimer's disease, etc.). To study these OS, sample preparation involves 2 key phases, enzymatic cleavage (breaking the bond between OS and proteins) followed by purification and extraction (separation of OS and proteins). However, the materials currently used in the protocols impose numerous manual and time-consuming steps, incompatible with high-throughput analysis.

In this context, the LEDNA laboratory specialized in materials science has recently developed a sol-gel process for the manufacture of Hierarchical Porosity Monoliths (HPMs) in miniaturized devices. These materials have provided a proof of concept demonstrating their value for the second stage of glycomic analysis, i.e. the purification and extraction of oligosaccharides. The LEDNA is now looking to improve the first step, corresponding to enzymatic cleavage, which has become a limiting factor in the glycomics analysis process. Functionalization of porous materials, in particular HPMs, with enzyme would enable simple sample preparation in just a few hours with a single step.

The aim of this thesis is therefore to show that the use of porous materials with a dual function - catalytic and filtration - applied to the preparation of samples for glycomic analysis is a relevant means of simplifying and accelerating glycomic analysis, as well as employing them in hospital-related studies to identify new biomarkers of pathologies.

The research project will involve developing a device incorporating porous materials with catalytic and filtration functions. Several aspects will be addressed, ranging from the synthesis and shaping of these materials to characterization of their textural and physico-chemical properties. Particular emphasis will be placed on enzyme immobilization. The most promising prototype(s) will be evaluated in a glycomic analysis protocol, verifying the oligosaccharide profiles obtained from human biofluids (plasma, milk). Physico-chemical characterization will involve a variety of techniques (SEM, TEM, etc.), as well as characterization of porosity parameters (nitrogen adsorption, Hg porosimeter). Oligosaccharides will be analyzed by high-resolution mass spectrometry (mainly MALDI-TOF).

For this multidisciplinary thesis project, we are looking for a student chemist or physical chemist, interested in materials chemistry and motivated by the applications of fundamental research in the field of new technologies for health. The thesis will be carried out in two laboratories, LEDNA for the materials part and LI-MS for the use of materials in glycomics analysis. The research activity will be carried out at the Saclay research center (91).
Stable tandem perovskite solar cells based on new cross-linked electron transport layers

SL-DRF-24-0902

Research field : Chemistry
Location :

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

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences (LICSEN)

Saclay

Contact :

Frédéric Oswald

Starting date : 01-10-2024

Contact :

Frédéric Oswald
CEA - DRF/IRAMIS/NIMBE/LICSEN

01 69 08 21 49

Thesis supervisor :

Frédéric Oswald
CEA - DRF/IRAMIS/NIMBE/LICSEN

01 69 08 21 49

Personal web page : https://iramis.cea.fr/Pisp/frederic.oswald/

Laboratory link : https://iramis.cea.fr/NIMBE/LICSEN/

Perovskite solar cells (PSCs) have become a trending technology in photovoltaic research due to a rapid increase in efficiency in recent years. In 2020, a record efficiency of 25.5% close from Shockley-Queisser theoretical limit of 30% was reported. Tandem solar cells offer an alternative to go beyond but stability still remains an issue.

In our project, we will bring together our complementary expertise in molecular and macromolecular syntheses, thin film morphology tuning and cell device engineering to improve the stability of highly efficient inverted perovskite cells using new electron transport layers (ETL) with high electron mobility and high stability. We will design and synthesize new n-type fullerene free semiconductors. Introduction of cross-linkable groups will lead to stabilized ETLs by thermally-induced cross-linking after film formation. The efficiency and stability of these ETLs will be finally evaluated through their incorporation in tandem configuration.
Catalytic cleavage of C-O and C-N bonds applied to the transformation or reductive depolymerization of waste plastics

SL-DRF-24-0379

Research field : Chemistry
Location :

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

Laboratoire de Chimie Moléculaire et de Catalyse pour l’Energie

Saclay

Contact :

Jean-Claude Berthet

Starting date : 01-10-2024

Contact :

Jean-Claude Berthet
CEA - DRF/IRAMIS/NIMBE/LCMCE

01 69 08 60 42

Thesis supervisor :

Jean-Claude Berthet
CEA - DRF/IRAMIS/NIMBE/LCMCE

01 69 08 60 42

Personal web page : https://iramis.cea.fr/Pisp/thibault.cantat/JeanClaude_Berthet.php

Laboratory link : https://iramis.cea.fr/Pisp/thibault.cantat/research.php

More : https://iramis.cea.fr/nimbe/LCMCE/

The recycling and chemical recovery of plastics are necessary and crucialsteps to accelerate the transition to a circular economy and reduce the pollution associated with these materials.

The aim of this project is to develop catalytic systems for depolymerizing oxygenated and nitrogenous plastics into their monomers or derivatives (alcohols, amines, halides or even hydrocarbons). These methods, which enable the carbonaceous matter in polymers to be recovered under mild conditions in the form of chemical products useful to the chemical industry, are still underdeveloped and will, in the future, be virtuous processing routes for recycling certain plastics.

The aim of this doctoral project is to develop and use new metal molecular complexes (aluminium, zirconium, rare earths, etc.) and organic catalysts (boron-based), which

- are simple, inexpensive, recyclable and more selective than current catalysts (composed of iridium, ruthenium and boron), to depolymerize different types of plastics (polyesters, polycarbonates, polyurethanes and polyamides),
- allow, in the case of reductive catalysis, the use of hydrosilanes and hydroboranes, as well as the use of new reducing agents acting by transfer hydrogenation routes.

Finally, we will also consider the use of organic anhydrides to transform plastics into reactive organic compounds useful in organic chemistry.
In situ Magic Angle spinning NMR analysis of Li-ion batteries

SL-DRF-24-0325

Research field : Electrochemical energy storage incl. batteries for energy transition
Location :

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

Laboratoire d’étude des éléments légers (LEEL)

Saclay

Contact :

Magali GAUTHIER

Alan WONG

Starting date : 01-10-2024

Contact :

Magali GAUTHIER
CEA - DRF/IRAMIS/NIMBE/LEEL

01 69 08 45 30

Thesis supervisor :

Alan WONG
CNRS - DRF/IRAMIS/NIMBE/LSDRM


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

Laboratory link : https://iramis.cea.fr/nimbe/LEEL/

In situ solid-state Nuclear Magnetic Resonance (ssNMR) is a valuable characterization tool to decipher the electrochemical phenomena during battery operation. However, the broad signal lineshapes acquired from the sample static condition often retrain from the full potential of ssNMR characterization. Ex situ ssNMR experiments, using Magic-Angle sample Spinning (MAS), are often necessary to interpret the in situ data. As in any ex situ characterizations, the analyses do not always represent the real electrochemistry because of unwanted artifacts from the ex situ sample preparation, i.e., cell dismantling and electrode separations. Consequently, in situ ssNMR applications have been limited. The PhD student will address this limitation by developing a spinning battery cell for acquiring high-resolution ssNMR data under MAS for in situ study, including a new method of spatially-resolved ssNMR spectroscopy. Combining in situ, MAS, and localized spectroscopy would lead to an unprecedented in situ ssNMR tool for deciphering fundamental insights into battery chemistry, which the student will emphasize by studying phenomena such as interfaces and dendrite formation in operating Li-ion batteries.
Development of dense and fluidized granular beds in microfluidic channels for healthcare applications

SL-DRF-24-0399

Research field : Health and environment technologies, medical devices
Location :

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

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire (LIONS)

Saclay

Contact :

Florent Malloggi

Starting date : 01-10-2024

Contact :

Florent Malloggi
CEA - DSM/IRAMIS/NIMBE/LIONS

+3316908 6328

Thesis supervisor :

Florent Malloggi
CEA - DSM/IRAMIS/NIMBE/LIONS

+3316908 6328

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

Laboratory link : https://iramis.cea.fr/en/Pisp/lions/

The major public health problem of sepsis requires breakthrough technologies for ultra-fast diagnosis. Dense, fluidized granular beds are ideal systems for liquid-solid or gas-solid exchange processes. They are widely used in industry thanks to their high surface-to-volume ratio. Over the past decade, microfluidics and lab-on-a-chip have enabled numerous advances, particularly in biological sample preparation. We propose to develop a versatile microfluidic platform that will enable the creation of such dense, fluidized beds. We will first work on the incorporation of membranes into microchannels, drawing on the patented know-how developed in the laboratory. We will then study and characterize the granular beds, and finally test them for the detection of bacteria in biological samples. This work will be carried out in collaboration with our physicists (LEDNA) and biologist (LERI) partners at CEA Saclay.
Numerical twin for the Flame Spray Pyrolysis process

SL-DRF-24-0402

Research field : Numerical simulation
Location :

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

Laboratoire d’étude des éléments légers (LEEL)

Saclay

Contact :

Yann LECONTE

Starting date : 01-10-2024

Contact :

Yann LECONTE
CEA - DRF/IRAMIS/NIMBE/LEEL

0169086496

Thesis supervisor :

Yann LECONTE
CEA - DRF/IRAMIS/NIMBE/LEEL

0169086496

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

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

Our ability to manufacture metal oxide nanoparticles (NPs) with well-defined composition, morphology and properties is a key to accessing new materials that can have a revolutionary technological impact, for example for photocatalysis or storage of energy. Among the different nanopowders production technologies, Flame Spray Pyrolysis (FSP) constitutes a promising option for the industrial synthesis of NPs. This synthesis route is based on the rapid evaporation of a solution - solvent plus precursors - atomized in the form of droplets in a pilot flame to obtain nanoparticles. Unfortunately, mastery of the FSP process is currently limited due to too much variability in operating conditions to explore for the multitude of target nanoparticles. In this context, the objective of this thesis is to develop the experimental and numerical framework required by the future deployment of artificial intelligence for the control of FSP systems. To do this, the different phenomena taking place in the synthesis flames during the formation of the nanoparticles will be simulated, in particular by means of fluid dynamics calculations. Ultimately, the creation of a digital twin of the process is expected, which will provide a predictive approach for the choice of the synthesis parameters to be used to arrive at the desired material. This will drastically reduce the number of experiments to be carried out and in consequence the time to develop new grades of materials
Hybrid solid electrolytes for "all-solid" batteries: Formulation and multi-scale characterization of ionic transport

SL-DRF-24-0634

Research field : Physical chemistry and electrochemistry
Location :

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

Laboratoire d’étude des éléments légers (LEEL)

Saclay

Contact :

Saïd Yagoubi

Thibault CHARPENTIER

Starting date : 01-10-2024

Contact :

Saïd Yagoubi
CEA - DRF/IRAMIS/NIMBE/LEEL

+ 33 1 69 08 42 24

Thesis supervisor :

Thibault CHARPENTIER
CEA - DRF/IRAMIS/NIMBE/LSDRM

33 1 69 08 23 56

Personal web page : http://iramis.cea.fr/Pisp/said.yagoubi/

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

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

Lithium-ion batteries, widely present in our daily lives, have revolutionized portable applications and are now used in electric vehicles. The development of new generations of batteries for future applications in transport and storing electricity from renewable sources is therefore vital to mitigating climate change. Lithium-ion technology is generally considered as the preferred solution for applications requiring high energy density, while sodium-ion technology is particularly attractive for applications requiring power.

However, the intrinsic instability of liquid electrolytes results in safety issues. Faced with the requirements concerning the environment and safety, solid-state batteries based on solid electrolytes can provide an effective solution while meeting battery energy storage needs. The barriers to overcome allowing the development of all-solid-state battery technology consist mainly in the research of new chemically stable solid electrolytes with good electrical, electrochemical and mechanical performance. For this goal, this thesis project aims to develop “polymer/polymer” and “ceramic/polymer” composite solid electrolytes with high performance and enhanced safety. Characterizations by electrochemical impedance spectroscopy (EIS) will be carried out in order to understand the cation dynamics (by Li+ or Na+) at the macroscopic scale in composite electrolytes, while the local dynamics will be probed using advanced techniques of Solid-state NMR (23Na / 7Li relaxation, 2D NMR, in-situ NMR & operando). Other characterization techniques such as X-ray and neutron diffraction, XPS, chronoamperometry, GITT ... will be implemented for a perfect understanding of the structure of electrolytes as well as aging mechanisms at the electrolyte / electrolyte and electrolyte/electrode interfaces of the all-solid battery.

Key words: composite solid electrolyte, all-solid-state battery, interfaces, multiscale characterization, dynamics of Li + and Na + ions, electrochemical performance, solid-state NMR, X-ray / neutron diffraction.
Advanced 3D-printed metallic bipolar plates for PEMFC application

SL-DRF-24-0244

Research field : Physical chemistry and electrochemistry
Location :

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

Laboratoire Innovation, Chimie des Surfaces Et Nanosciences (LICSEN)

Saclay

Contact :

Mélanie FRANCOIS

Bruno JOUSSELME

Starting date : 01-10-2024

Contact :

Mélanie FRANCOIS
CEA - DRF/IRAMIS/NIMBE/LICSEN

0169089191

Thesis supervisor :

Bruno JOUSSELME
CEA - DRF/IRAMIS/NIMBE/LICSEN

0169 08 91 91

Personal web page : https://iramis.cea.fr/nimbe/Phocea/Membres/Annuaire/index.php?uid=MF276647

Laboratory link : https://iramis.cea.fr/nimbe/LICSEN/

To meet the increasing energy demand and diversify energy resources, fuel cells emerge as a promising solution. This Ph.D work aims to contribute to the development of Proton Exchange Membrane Fuel Cells (PEMFCs), with a specific focus on bipolar plates (BPs) which ensure gas distribution and current collection. The first objectives are to design and manufacture stainless steel BPs using 3D printing (SLM - Selective Laser Melting) and to develop organic and inorganic anticorrosion coatings. Multiple channel architectures will be designed and characterized, including in-situ assessments with membrane-electrode assemblies (MEAs). Coatings will also be characterized, particularly in terms of their corrosion resistance through polarization methods. In the second phase, the aim is to integrate the optimized BPs with MEAs and thoroughly study the performance of PEMFCs using electrochemical techniques to gain fundamental insights into the mechanisms that limit PEMFCs performance.
Ab initio simulation of catalysts for green chemistry

SL-DRF-24-0302

Research field : Physical chemistry and electrochemistry
Location :

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

Laboratoire Structure et Dynamique par Résonance Magnétique (LCF)

Saclay

Contact :

Rodolphe POLLET

Patrick BERTHAULT

Starting date : 01-10-2024

Contact :

Rodolphe POLLET
CEA - DRF/IRAMIS/NIMBE/LSDRM

01 69 08 37 13

Thesis supervisor :

Patrick BERTHAULT
CEA - DRF/IRAMIS/NIMBE/LSDRM

+33 1 69 08 42 45

Personal web page : https://iramis.cea.fr/Pisp/rodolphe.pollet/

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

Catalysis is today at the core of chemical industrial applications. For example, the conversion of nitrile to amide, which is relevant in pharmaceuticals, agrochemicals, synthetic chemistry and polymer chemistry, by hydration requires an efficient catalyst due to its slow kinetics. For environmental reasons, it is crucial to discover catalysts without transition metals, neither toxic nor corrosive, and cheap. One example of such catalyst is hydroxide choline.

During this thesis, the student will learn how to perform ab initio molecular dynamics simulations coupled with a method which can reconstruct the free-energy landscape of the hydration reaction for different aromatic nitriles in different in silico experimental conditions. He or she will also have to perform quantum chemistry calculations at a level that can describe all the required intra and intermolecular interactions. This theoretical approach has already been successfully used within our team to describe other chemical reactions in aqueous solution and will be applied to the innovative field of green chemistry.
Nanodiamond-based porous electrodes: towards photoelectrocatalytic production of solar fuels

SL-DRF-24-0426

Research field : Physical chemistry and electrochemistry
Location :

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

Laboratoire Edifices Nanométriques (LEDNA)

Saclay

Contact :

Jean-Charles ARNAULT

Hugues GIRARD

Starting date : 01-10-2024

Contact :

Jean-Charles ARNAULT
CEA - DRF/IRAMIS/NIMBE/LEDNA

01 68 08 71 02

Thesis supervisor :

Hugues GIRARD
CEA - DRF/IRAMIS/NIMBE/LEDNA

0169084760

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

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

Among nanoscale semiconductors, nanodiamonds (ND) have not been really considered yet for photoelectrocatalytic reactions in the energy-related field. This originates from the confusion with ideal monocrystalline diamond featuring a wide bandgap (5.5 eV) that requires a deep UV illumination to initiate photoreactivity. At the nanoscale, ND enclose native defects (sp2 carbon, chemical impurities such as nitrogen) that can create energetic states in the diamond’s bandgap decreasing the light energy needed to initiate the charge separation. In addition, the diamond electronic structure can be strongly modified (over several eV) playing on its surface terminations (oxidized, hydrogenated, aminated) which can open the door to optimized band alignments with the species to be reduced or oxidized. Combining these assets, ND becomes competitive with other semiconductors toward photoreactions. The aim of this PhD is to investigate the ability of nanodiamonds in reducing CO2 through photoelectrocatalysis. To achieve this goal, electrodes will be made from nanodiamonds with different surface chemistries (oxidized, hydrogenated and aminated), either using a conventional ink-type approach or a more innovative one that results in a porous material including nanodiamonds and a PVD-deposited matrix. Then, the (photo)electrocatalytic performances under visible illumination of these nanodiamond-based electrodes toward CO2 reduction will be investigated in terms of production rate and selectivity, in presence or not of a transition metal macrocyclic molecular co-catalyst.
Catalysis using sustainaBle hOllow nanoreacTors wiTh radiaL pErmanent polarization

SL-DRF-24-0284

Research field : Radiation-matter interactions
Location :

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

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire (LIONS)

Saclay

Contact :

Pierre PICOT

Sophie LE CAER

Starting date : 01-10-2024

Contact :

Pierre PICOT
CEA - DRF/IRAMIS/NIMBE/LIONS/


Thesis supervisor :

Sophie LE CAER
CNRS - DRF/IRAMIS/NIMBE/LIONS

01 69 08 15 58

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

Laboratory link : https://iramis.cea.fr/NIMBE/LIONS/

The combined demands of increasing energy production and the need to reduce fossil fuels to limit global warming have paved the way for an urgent need for clean energy harvesting technologies. One interesting solution is to use solar energy to produce fuels. Thus, low-cost materials such as semiconductors have been intensively studied for photocatalytic reactions. Among them, 1D nanostructures hold promise due to their interesting properties (high specific and accessible surfaces, confined environments, better charge separation). Imogolite, a natural hollow nanotube clay belongs to this category. Although it is not directly photoactive in the visible light range (high band gap), it exhibits a permanent wall polarization due to its intrinsic curvature. This property makes it a potentially useful co-photocatalyst for charge separation. Moreover, this nanotube belongs to a family sharing the same local structure with different curved morphologies (nanosphere and nanotile). In addition, several modifications of these materials are possible (wall doping with metals, coupling with metal nanoparticles, functionalization of the internal cavity) allowing tuning band gap. The proof of concept (i.e., photocatalytic nanoreactor) was only obtained for the nanotube form.

This phD project aims to study the whole family (nanotube, nanosphere, and nanotile, with various functionalizations) as nanoreactors for reduction reactions of protons and CO2 triggered under irradiation.
Durable radially polatised tubular nanoreactors for catalysis

SL-DRF-24-0870

Research field : Radiation-matter interactions
Location :

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

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire (LIONS)

Saclay

Contact :

Pierre PICOT

Sophie LE CAER

Starting date : 01-10-2024

Contact :

Pierre PICOT
CEA - DRF/IRAMIS/NIMBE/LIONS/


Thesis supervisor :

Sophie LE CAER
CNRS - DRF/IRAMIS/NIMBE/LIONS

01 69 08 15 58

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

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

Rising energy demand and the need to reduce the use of fossil fuels to limit global warming have created an urgent need for clean energy collection technologies. One interesting solution is to use solar energy to produce fuels. Low-cost materials such as semiconductors have been the focus of numerous studies for photocatalytic reactions. Among them, 1D nanostructures are promising because of their interesting properties (high and accessible specific surface areas, confined environments, long-distance electron transport and facilitated charge separation). Imogolite, a natural hollow nanotubes clay, belongs to this category. Its particularity does not lies in its chemical composition (Al, O and Si) but in its intrinsic curvature, which induces a permanent polarization of the wall, effectively separating photo-induced charges. This nanotube belongs to a family sharing the same local structure with different curved morphologies (nanosphere and nanotile). In addition, several modifications of these materials are possible (coupling with metal nanoparticles, functionalization of the internal cavity), enabling their properties to be modulated. These materials are therefore good candidates as nanoreactors for photocatalytic reactions. So far, proof of concept (i.e. nanoreactor for photocatalytic reactions) has only been obtained for the nanotube form. The aim of this thesis is therefore to study the whole family (nanotube, nanosphere and nanotile, with various functionalizations) as nanoreactors for proton and CO2 reduction reactions triggered under illumination.
Raw earth soil, an age-old material with new emerging uses

SL-DRF-24-0360

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

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

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire (LIONS)

Saclay

Contact :

Jean-Philippe RENAULT

Diane REBISCOUL

Starting date : 01-09-2024

Contact :

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

01 69 08 15 50

Thesis supervisor :

Diane REBISCOUL
CEA - DES/ICSM (DES)//L2ME

0033 4 66 33 93 30

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

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

More : https://www.icsm.fr/index.php?pagendx=3898

Raw earth materials, which have found multiple uses for millennia, now offer considerable potential for helping to adapt to the changing climate, thanks to their natural ability to regulate heat and water, as well as their low-CO2 production and shaping. However, scientific advances are still needed to get a more precise understanding of these materials, up to the nanometric scale.

This thesis focuses on the link between the mechanical properties of raw earth soil materials and their nanostructure, emphasizing the roles of confined water, ions and organic substances. Two approaches, based on the expertise on nanoporous media developed at CEA, Saclay and Marcoule, will be followed: the analysis of old materials using spectroscopic and radiation scattering methods, and the development of a screening protocol to identify physicochemical parameters important for durability. This research, which ultimately aims to optimize the formulation of raw earth materials, will be carried out in collaboration with architects specialists in the field.
Custom synthesis of diamond nanoparticles for photocatalytic hydrogen production

SL-DRF-24-0432

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

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

Laboratoire Edifices Nanométriques (LEDNA)

Saclay

Contact :

Hugues GIRARD

Jean-Charles ARNAULT

Starting date : 01-10-2024

Contact :

Hugues GIRARD
CEA - DRF/IRAMIS/NIMBE/LEDNA

0169084760

Thesis supervisor :

Jean-Charles ARNAULT
CEA - DRF/IRAMIS/NIMBE/LEDNA

01 68 08 71 02

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

Laboratory link : https://iramis.cea.fr/NIMBE/LEDNA/

Our recent results show that nanodiamond can also act as a photocatalyst, enabling the production of hydrogen under solar illumination [1]. Despite its wide band gap, its band structure is adaptable according to its nature and surface chemistry [2]. Moreover, the controlled incorporation of dopants or sp2 carbon leads to the generation of additional bandgap states that enhance the absorption of visible light, as shown in a recent study involving our group [3]. The photocatalytic performance of nanodiamonds is therefore highly dependent on their size, shape and concentration of chemical impurities. It is therefore essential to develop a "tailor-made" nanodiamond synthesis method, in which these different parameters can be finely controlled, in order to provide a supply of "controlled" nanodiamonds, which is currently lacking.

The aim of this PhD is to develop a bottom-up approach to nanodiamond synthesis using a sacrificial template (silica beads or fibers) to which diamond seeds < 10 nm are attached by electrostatic interaction. The growth of diamond nanoparticles from these seeds will be achieved by exposing these objects to a microwave-enhanced chemical vapor deposition (MPCVD) growth plasma, allowing very fine control of (i) the incorporation of impurities into the material (ii) its crystalline quality (sp2/sp3 ratio) (iii) its size. This growth facility, which exists at the CEA NIMBE, is used for the synthesis of boron-doped diamond core-shells [4]. In the second part of the thesis, an innovative process (patent pending) is implemented to achieve MPCVD growth of diamond nanoparticles by circulating the sacrificial templates in a gas stream. During this work, different types of nanodiamonds will be synthesized: intrinsic nanoparticles (without intentional doping) and nanoparticles doped with boron or nitrogen.

After growth, the nanoparticles will be collected after dissolution of the template. Their crystal structure, morphology and surface chemistry will be studied at CEA NIMBE by scanning electron microscopy, X-ray diffraction and Raman, infrared and photoelectron spectroscopy. A detailed analysis of the crystallographic structure and structural defects will be carried out by high-resolution transmission electron microscopy.

Nanodiamonds will then be surface-modified to give them colloidal stability in water. Their photocatalytic performance for hydrogen production will be evaluated in collaboration with ICPEES (Strasbourg University).


References
[1] Patent, Procédé de production de dihydrogène utilisant des nanodiamants comme photocatalyseurs, CEA/CNRS, N° FR/40698, juillet 2022.
[2] Miliaieva et al., Nanoscale Adv. 2023.
[3] Buchner et al., Nanoscale (2022)
[4] Henni et al., Diam. Relat. mater. (under review)
Exploring the reactivity of oxide based catalysts by radiolysis

SL-DRF-24-0239

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

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

Laboratoire Edifices Nanométriques (LEDNA)

Saclay

Contact :

Nathalie HERLIN

Sophie LE CAER

Starting date : 01-10-2024

Contact :

Nathalie HERLIN
CEA - DRF/IRAMIS/NIMBE/LEDNA

0169083684

Thesis supervisor :

Sophie LE CAER
CNRS - DRF/IRAMIS/NIMBE/LIONS

01 69 08 15 58

Personal web page : https://iramis.cea.fr/Pisp/sophie.le-caer/

Laboratory link : https://iramis.cea.fr/nimbe/LIONS

More : https://iramis.cea.fr/nimbe/LEDNA

In the context of the search for processes that are less polluting and more energy-efficient than current processes, it is interesting to produce high-stake molecules such as C2H4 by developing alternative synthesis routes to steam cracking, which is used in the majority of cases, but is energy-intensive and based on fossil resources. Processes such as photocatalysis, which relies on the use of light energy, seem an attractive way of generating these molecules of interest. In this context, we have already shown that the use of TiO2-based photocatalysts decorated with copper particles enables the production of ethylene from an aqueous solution of propionic acid, with a selectivity (C2H4/other carbonaceous products) of up to 85%.

However, photocatalysis kinetics can be slow, and it can take a long time to identify the best catalysts or catalyst/reagent pairs for a given reaction. So, in order to determine whether radiolysis, which relies on the use of radiation to ionize matter, can be an effective method of screening catalysts, initial experiments have already been carried out on catalyst (TiO2 or Cu TiO2)/reagent (propionic acid more or less concentrated) pairs, previously studied in photocatalysis. Initial results obtained by radiolysis are encouraging. In these experiments, only dihydrogen production was measured. A significant difference was observed in this production depending on the system: it was high during radiolysis of propionic acid with TiO2 nanoparticles, and significantly lower in the presence of Cu TiO2 nanoparticles, suggesting a different reaction path in the latter case, in line with observations made during photocatalysis experiments.

The aim of this thesis work will be to extend these initial results by synthesizing nanoparticles (catalysts), preparing reagent/catalyst mixtures, then irradiating them and measuring the various gases produced by gas-phase micro-chromatography, with special attention on ethylene. Particular attention will be paid to determining the species formed, especially transient ones, in order to ultimately propose reaction mechanisms accounting for the differences observed for the different reagent/catalyst pairs. Comparisons will also be made with results obtained by photocatalysis.
Multiscale metamaterials based on 3D-printed biosourced polymer composites

SL-DRF-24-0326

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

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

Laboratoire Interdisciplinaire sur l’Organisation Nanométrique et Supramoléculaire (LIONS)

Saclay

Contact :

Valérie GEERTSEN

Starting date : 01-10-2024

Contact :

Valérie GEERTSEN
CEA - DRF/IRAMIS/NIMBE/LIONS

0643360545

Thesis supervisor :

Valérie GEERTSEN
CEA - DRF/IRAMIS/NIMBE/LIONS

0643360545

Personal web page : https://iramis.cea.fr/Pisp/valerie.geertsen/

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

Reducing the density of materials is one of the best ways to diminish our energy footprint. One solution is to replace massive materials by microlattices. Among these, random architecture structures inspired by bird bone structure offer the best advantages, with isotropic mechanical behavior and increased mechanical resistance, while meeting the challenges of the circular economy. These material-saving metamaterials are manufactured by 3D printing and can be compacted at the end of their life cycle. Among manufacturing technologies, UV polymerization of liquid organic resin or composite is the most promising. It produces mechanically resistant materials without generating manufacturing waste. It is also possible to include large quantities of bio-sourced fillers, reducing even further their environmental impact.

The PhD-thesis proposed here focuses on the development of polymeric nanocomposite microlattice structures from resin formulation to mechanical properties study (viscoelasticity, yield stress, fracture resistance) through printing and post-processing stages. From a more fundamental point of view, the aim is to study the link between the composition, shape and surface properties of the fillers on one hand, and the imprimability of the composite resine and the mechanical properties of the resulting metamaterial on the other hand. The thesis will focus on the study of cellulose-type fillers in nanoparticle, microparticle or fiber form. This multidisciplinary study bridges technology to science while producing data for a digital twin.
Effect of substitution on the ferroelectric and photocatalytic properties of Barium Titanate nanoparticles

SL-DRF-24-0401

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

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

Laboratoire d’étude des éléments légers (LEEL)

Saclay

Contact :

Yann LECONTE

Starting date : 01-10-2024

Contact :

Yann LECONTE
CEA - DRF/IRAMIS/NIMBE/LEEL

0169086496

Thesis supervisor :

Yann LECONTE
CEA - DRF/IRAMIS/NIMBE/LEEL

0169086496

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

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

As part of the energy transition, the production of hydrogen from solar energy appears to be an extremely promising means of storing and then producing energy. To develop on a large scale, water photoelectrolysis requires materials with high catalytic efficiency. Among the candidates considered, materials derived from barium titanates appear promising because their ferro- and piezoelectric properties could increase their photocatalytic effect. Therefore, we propose to synthesize BaTiO3 nanoparticles by flame spray pyrolysis and to make substitutions on Ba and O in order to study the effect of these modifications on the ferroelectric properties of the material. The addition of noble metal inclusions to the surface of the particles, likely to improve catalysis, will also be addressed. Finally, photocatalysis and piezocatalysis tests will make it possible to establish the links between ferroelectric and catalytic phenomena in this family of materials. This subject will be carried out in collaboration between the LEEL of the CEA and the SPMS of Centrale – Supelec.

 

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