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Yannick DAPPE

Chargé de Recherche CNRS

Service de Physique de l'Etat Condensé (UMR 3680 CNRS)

Groupe Modélisation et Théorie

Expert OMNT (UMS CEA-CNRS 2920)

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Research topics

  • Electronic structure calculation, Density Functional Theory (DFT), Fireball, weak and van der Waals interactions.
  • Graphitic materials (graphene, carbon nanotubes, fullerene,...) and 2D materials (MoS2, hBN, ...), van der Waals heterostructures, metal/organic molecule interfaces
  • Transport properties and Scanning Tuneling Microscope image modelling, Molecular Electronics.


Postdoctoral fellow (Marie Curie-Cofund grant, 2015-2016 ) : César González Pascual, working on the 2D MoS2 structure and its interaction with different molecules

CEA PhD grant ("sujet phare", 2015-2018) : Daniela Di Felice, working on Electronic structure and transport in the graphene/MoS2 heterostructure

Poster Prize : International Conference Graphene 2016, April 19-22, Genova, Italy

France Culture, "La Recherche  montre en main : Daniela Di Felice" 

Guest Editor

Topical Section : Formation of Semiconductor Interfaces.

Y.J. Dappe, Physica Status Solidi A 209, 597 (2012).

Special Issue: 13th International Conference on the Formation of Semiconductor Interfaces (ICFSI-13).

Y.J. Dappe, P. Jelinek, V. Cháb, Physica Status Solidi C 9, 1350 (2012).

Book Editor

Theory and Simulation in Physics for Materials Applications : Cutting-Edge Techniques in Theoretical and Computational Materials Science

Elena V. Levchenko, Yannick J. Dappe, Guido Ori, Springer Series in Materials Science 296 (2020)

Book Chapter

Weak chemical interaction and van der Waals forces: A combined density functional and intermolecular perturbation theory. Application to graphite and graphitic systems
Y.J. Dappe, J. Ortega and F. Flores, “Advances in the Atomic-Scale Modeling of Nanosystems and Nanostructured Materials”, Lecture Notes in Physics, 2010, Volume 795, Pages 45-79.

Journal du CNRS

Les nouveaux défis de la spintronique , par Sylvain Guilbaud, 24.05.2016


98) Silicene Nanoribbons on an Insulating Thin Film.

K. Quertite, H. Enriquez, N. Trcera, Y. Tong, A. Bendounan, A.J. Mayne, G. Dujardin, P. Lagarde, A. El kenz, A. Benyoussef, Y.J. Dappe, A. Kara and H. Oughaddou, Advanced Functional Materials, 2007013 (2020).


97) Intraconfigurational Transition due to Surface-Induced Symmetry Breaking in Non-Covalently Bonded Molecules.

M. Bouatou, R. Harsh, F. Joucken, C. Chacon, V. Repain, A. Bellec, Y. Girard, S. Rousset, R. Sporken, F. Gao, M. Brandbyge, Y.J. Dappe, C. Barreteau, A. Smogunov and J. Lagoute, Journal of Physical Chemistry Letters 11, 9329 (2020).


96) Structural and electronic transitions in few layers of isotopically pure hexagonal boron nitride.

J. Zribi, L. Khalil, J. Avila, J. Chaste, H. Henck, F. Oehler, B. Gil, S. Liu, J.H. Edgar, Ch. Giorgetti, Y.J. Dappe, E. Lhuillier, G. Cassabois, A. Ouerghi and D. Pierucci, Physical Review B102, 115141 (2020).


95) Phosphorus Pentamers : Floating Nanoflowers form a 2D Network.

W. Zhang, H. Enriquez, Y. Tong, A.J. Mayne, A. Bendounan, Y.J. Dappe, A. Kara, G. Dujardin and H. Oughaddou, Advanced Functional Materials, 2004531 (2020).


94) Attenuation Factors in Molecular Electronics : Some Theoretical Concepts.

Y.J. Dappe, Applied Sciences 10, 6162 (2020).


93) Blue phosphorene reactivity on the Au(111) surface.

W. Zhang, H. Enriquez, X. Zhang, A.J. Mayne, A. Bendounan, Y.J. Dappe, A. Kara, G. Dujardin and H. Oughaddou, Nanotechnology 31, 495602 (2020).


92) Direct Observation of the Reduction of a Molecule  on Nitrogen Pairs in Doped Graphene.

M. Bouatou, S. Mondal, C. Chacon, F. Joucken, Y. Girard, V. Repain, A. Bellec, S. Rousset, Sh. Narasimhan, R. Sporken, Y.J. Dappe and J. Lagoute, Nano Letters 20, 6908 (2020).

Actualite Scientifique de l'INP du CNRS | Fait marquant SPEC du CEA


91) Control of Dipolar Switches on Graphene by a local Electric Field.

M. Bouatou, C. Chacon, F. Joucken, Y. Girard, V. Repain, A. Bellec, S. Rousset, R. Sporken, C. Gonzalez, Y.J. Dappe and J. Lagoute, Journal of Physical Chemistry C 124, 15639 (2020).


90) Charge transport in hybrid platinum/molecule/graphene single molecule junctions.

Ch. He, Q. Zhang, T. Gao, Ch. Liu, Zh. Chen, C. Zhao, Ch. Zhao, R.J. Nichols, Y.J. Dappe and L. Yang, Physical Chemistry Chemical Physics 22, 13498 (2020).


89) Decoupling Molybdenum Disulfide from Its Subsrate by Cesium Intercalation.

R. Sant, S. Lisi, V.D. Nguyen, E. Mazaleyrat, A.C. Gomez Herrero, O. Geaymond, V. Guisset, Ph. David, A. Marty, M. Jamet, C. Chapelier, L. Magaud, Y.J. Dappe, M. Bianchi, Ph. Hofmann, G. Renaud, and J. Coraux, Journal of Physical Chemistry C 124, 12397 (2020).


88) Order and disorder at the C-face of SiC : A hybrid surface reconstruction.

E. Machado-Charry, C. Gonzalez, Y.J. Dappe, L. Magaud, N. Mousseau and P. Pochet, Applied Physics Letters 116, 141605 (2020). 

Focus in Materials Today


87) Charge transfers and charged defects in WSe2 / graphene-SiC interfaces.

Y.J. Dappe, Y. Almadori, M.T. Dau, C. Vergnaud, M. Jamet, C. Paillet, T. Journot, B. Hyot, P. Pochet, B. Grevin, Nanotechnology 31, 255709 (2020).


86) Kinked Row-Induced Chirality Driven By Molecule Substrate Interactions.

S. Snegir, Y.J. Dappe, O.L. Kapitanchuk, D. Coursaut, and E. Lacaze, Physical Chemistry Chemical Physics 22, 7259 (2020).


85) Controlling Hydrogen-Transfer Rate in Molecules on Graphene by Tunable Molecular Orbital levels.

R. Harsh, F. Joucken, C. Chacon, V. Repain, Y. Girard, A. Bellec, S. Rousset, R. Sporken, A. Smogunov, Y.J. Dappe and J. Lagoute,  Journal of Physical Chemistry Letters 10, 6897 (2019). 


84) Deep metallic interdiffusion in a model ferromagnetic/molecular system.

C. Fourmental, A. Bellec, V. Repain, J. Lagoute, C. Chacon, Y. Girard, S. Rousset, Y.J. Dappe, A. Vlad, A. Resta, Y. Garreau and A. Coati, Physical Review Materials 3, 083603 (2019).


83) Importance of Epitaxial Strain at a Spin-Crossover Molecule-Metal Interface.

C. Fourmental, S. Mondal, R. Banerjee, A. Bellec, Y. Garreau, A. Coati, C. Chacon, Y. Girard, J. Lagoute, S. Rousset, M.-L. Boillot, T. Mallah, C. Enachescu, C. Barreteau, Y.J. Dappe, A. Smogunov, S. Narasimhan and V. Repain, Journal of Physical Chemistry Letters 10, 4103 (2019). 


82) Tuning spin filtering by anchoring groups in benzene derivative molecular junctions.

D. Li, Y.J. Dappe, A. Smogunov, Journal of Physics : Condensed Matter 31, 405301 (2019).


81) Effect of Asymmmetric Anchoring Groups on Electronic Transport in Hybrid Metal/Molecule/Graphene Single Molecule Junctions.

Ch. He, Q. Zhang, Y. Fan, C.Z. Zhao, Ch. Zhao, J. Ye, Y.J. Dappe, R.J. Nichols, L. Yang, ChemPhysChem 20, 1830 (2019).


80) Electronic Band Structure of Ultimately Thin Silicon Oxide on Ru(0001).

G. Kremer, Q. Alvarez, C. Juan, S. Lisi, Th. Pierron, C. González, M. Sicot, B. Kierren, D. Malterre, J. Rault, P. Le Fevre, F. Bertran, Y.J. Dappe, J. Coraux, P. Pochet and Y. Fagot-Revurat, ACS Nano 13, 4720 (2019).


79) Controlling the magnetic exchange coupling in hybrid heterojunctions via spacer layers of π-conjuguated molecules.

Q. Arnoux, C. Blouzon, D. Li, Y.J. Dappe, A. Smogunov, P. Bonville, L. Tortech and J.-B. Moussy, Physical Review B  99, 144405 (2019).


78) Symmetry aspects of spin-filtering in molecular junctions : hybridization and quantum interferences effects.

D. Li, R. Banerjee, S. Mondal, I. Maliyov, M. Romanova, Y.J. Dappe and Alexander Smogunov, Physical Review B 99, 115403 (2019).


77) Fragmentation and distortion of Terpyridine-Based Spin-Crossover Complexes on Au(111).

Th. Knaak, C. González, Y.J. Dappe, G.D. Harzmann, Th. Brandl, M. Mayor, R. Berndt and M. Gruber, Journal of Physical Chemistry C 123, 4178 (2019).


76) Selective control of molecule charge state on graphene using tip-induced electric field and nitrogen doping.

V.D. Pham, S. Ghosh, F. Joucken, M. Pelaez-Fernandez, V. Repain, C. Chacon, A. Bellec, Y. Girard, R. Sporken, S. Rousset, Y.J. Dappe, Sh. Narasimhan & J. Lagoute, npj 2D Materials and Applications 3, 5 (2019).


75) Graphene-contacted Single Molecular Junctions with Conjugated Molecular Wires.

S.Tao, Q. Zhang, C. He, X. Lin, R. Xie, C. Zhao, Ch. Zhao, A. Smogunov, Y.J. Dappe, R.J. Nichols and L. Yang, ACS Appl. Nano Mater. 2, 12 (2019).


74) Synthesis and Suzuki-Miyaura cross coupling reactions for post synthetic modification of a tetrabromo-anthracenyl porphyrin.

J. Pijeat, Y.J. Dappe, P. Thuéryc and S. Campidelli, Organic & Biomolecular Chemistry 16, 8106 (2018).


73) 2D vertical field effect transistor.

D. Di Felice and Y.J. Dappe, Nanotechnology 29, 505708 (2018).


72) Correction to Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS2 in hte Presence of Defects, Strain and Charged Impurities.

S. Dubey, S. Lisi, G. Nayak, F. Herziger, V.-D. Nguyen, T. Le Quang, V. Cherkez, C. Gonzalez, Y.J. Dappe, K. Watanabe, T. Taniguchi, L. Magaud, P. Mallet, J.-Y. Veuillen, R. Arenal, L. Marty, J. Renard, N. Bendjab, J. Coraux and V. Bouchiat, ACS Nano 12, 10565 (2018).


71) Technical Effects of Molecule-Electrode Contacts in Graphene-Based Molecular junctions.

Q. Zhang, S. Tao, Y. Fan, C.Z. Zhao, Ch. Zhao, W.Su, Y.J. Dappe, R.J. Nichols and L. Yang, Journal of Physical Chemistry C 122, 23200 (2018).



70) Carbon-contacted singlle molecule electricla junctions.

C. He, Q. Zhang, S. Tao, C.Z. Zhao, Ch. Zhao, W. Su, Y.J. Dappe, R.J. Nichols and L. Yang, Physical Chemistry Chemical Physics 20, 24553 (2018).   


69) Unravelling giant Cu(110) Surface Restructuring Induced by a Non-Planar Phtalocyanine.

N. Kalashnyk, L.A. Rochford, D. Li, A. Smogunov, Y.J. Dappe, T.S. Jones and L. Guillemot, NanoResearch 11, 2605 (2018).


68) Fast and straightforward analysis approach of charge transport data in single molecule junctions.

Q. Zhang, C. Liu, S. Tao, R. Yi, W. Su, C. Z. Zhao, Ch. Zhao, Y.J. Dappe, R.J. Nichols and L. Yang, Nanotechnology 29, 325701 (2018).


67) Forces and electronic transport in a contact formed by a graphene tip and a defective MoS2 monolayer : a theoretical study.

D. Di Felice, Y.J. Dappe annd C. González, Nanotechnology 29, 225704 (2018)


66) Beyond van der Waals Interaction : The Case of MoSe2 Epitaxially Grown on Few-Layer Graphene.
M. T. Dau, M. Gay, D. Di Felice, C. Vergnaud, A. Marty, C. Beigné, G. Renaud, O. Renaud, P. Mallet, T. Le Quang, J.-Y. Veuillen, L. Huder, V. T. Renard, C. Chapelier, G. Zamborlini, M. Jugovac, V. Feyer, Y.J. Dappe, P. Pochet and M. Jamet, ACS Nano 12, 2319 (2018).

Fait marquant INAC


65) Structure and charge transport anisotropy of polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) oriented by high-temperature rubbing.
A. Hamidi-Sakr, L. Biniek, L. Grodd, S. Escoubas, Y.J. Dappe, S. Grigorian, M. Brinkmann, Advanced Electronic Materials, 1700480 (2018).


64) Symmetry Effects on Attenuation Factors in Graphene-Based Molecular Junctions.
Q. Zhang, S. Tao, R. Yi, C. He, C. Z. Zhao, W. Su, A. Smogunov, Y.J. Dappe, R.J. Nichols and L. Yang, J. Phys. Chem. Lett. 8, 5987 (2017).


63) Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS2 in hte Presence of Defects, Strain and Charged Impurities.

S. Dubey, S. Lisi, G. Nayak, F. Herziger, V.-D. Nguyen, T. Le Quang, V. Cherkez, C. Gonzalez, Y.J. Dappe, K. Watanabe, T. Taniguchi, L. Magaud, P. Mallet, J.-Y. Veuillen, R. Arenal, L. Marty, J. Renard, N. Bendjab, J. Coraux and V. Bouchiat, ACS Nano 11, 11206 (2017).


62) Tuning the Electronic and Dynamical Properties of a Molecule by Atom Trapping Chemistry.

V.D. Pham, V. Repain, C. Chacon, A. Bellec, Y. Girard, S. Rousset, E. Abad, Y.J. Dappe, A. Smogunov and J. Lagoute, ACS Nano 11, 10742 (2017). 

Fait marquant SPEC|Actualité scientifique de l'INP du CNRS


61) Ultrafast electron dynamics in twisted graphene by femtosecond photoemission electron microscopy.
K. Fukumoto, M. Boutchich, H. Arezki, K. Sakurai, D. Di Felice, Y.J. Dappe, K.  Onda and S. Koshihara, Carbon 124, 49 (2017).
Fait marquant du Labex NanoSaclay


60) Molecular detection on a defective MoS2 monolayer by simultaneous conductance and force simulations.
C. González and Y.J. Dappe, Physical Review B 95, 214105 (2017).


59) First-principles investigation of the structural and electronic properties of self-assemblies of functional molecules on graphene.
A. Quesne-Turin, J. Touzeau, Y.J. Dappe, B. Diawara, F. Maurel, and M. Seydou, Superlattices and Microstructures 105, 139 (2017).


58) Adsorption of small inorganic molecules on a defective MoS2 monolayer.
C. González, B. Biel and Y.J. Dappe, Physical Chemistry Chemical Physics 19, 9485 (2017).

57) Angle dependence of the local electronic properties of the graphene/MoS2 interface determined by ab initio calculations.
D. Di Felice, E. Abad, C. González, A. Smogunov and Y.J. Dappe,  J. Phys. D : Appl. Phys. 50, 17LT02 (2017). (invited letter)

56) Direct observation of the band structure in bulk hexagonal boron nitride.
H. Henck, D. Pierucci, G. Fugallo, J. Avila, G. Cassabois, Y.J. Dappe, M.G. Silly, Ch. Chen, B. Gil, M. Gatti, F. Sottile, F. Sirotti, M.C. Asensio and A. Ouerghi, Physical Review B 95, 085410 (2017).


55) Tunable Doping in Hydrogenated Single Layered Molybdenum Disulfide.
D. Pierucci, H. Henck, Z. Ben Aziza, C.H. Naylor, A. Balan, J.E. Rault, M.G. Silly, Y.J. Dappe, F. Bertran, P. Le Fèvre, F. Sirotti, A.T. Charlie Johnson, and A. Ouerghi, ACS Nano 11, 1755 (2017). 


54) Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronics devices
V. E. Campbell, M. Tonelli, I. Cimatti, J.-B. Moussy, L. Tortech, Y. J. Dappe, E. Rivière, R. Guillot, S. Delprat, R. Mattana, P. Seneor, Ph. Ohresser, F. Choueikani,
E. Otero, F. Koprowiak, V. Gopal Chilkuri, N. Suaud, N. Guihéry, A. Galtayries, F. Miserque, M.-A. Arrio, Ph. Sainctavit and T. Mallah, Nature Communication 7, 13646 (2016).
Fait marquant SPEC
| Actualité scientifique de l'INC du CNRS | Fait marquant Labex Nano Saclay

53) Bandgap inhomogeneity of MoS2 monolayer on epitaxial graphene bilayer in van der Waals p-n junction.
Z. Ben Aziza, H. Henck, D. Di Felice, D. Pierucci, J. Chaste, C.H. Naylor, A. Balan, Y.J. Dappe, A.T. charlie Johnson and A. Ouerghi, Carbon 110, 396 (2016).
52) Graphene as a promising electrode for low current attenuation in asymmetric molecular junctions.
Q. Zhang, L. Liu, S.Tao, C. Wang, C.Z. Zhao, C. González, Y.J. Dappe, R.J. Nichols, and L. Yang, Nano Letters 16, 6534 (2016).
Fait marquant IRAMIS | Actualité scientifique de l'INP du CNRS

51) 2D Self-assembly Monitored by Hydrogen Bonds for Triphenylene-based Molecules : A New Role for Azobenzenes
P. Sleczkowski, Y.J. Dappe, B. Croset, Y. Shimizu, D. Tanaka, R. Minobe, K. Uchida, and E. Lacaze, Journal of Physical Chemistry C 120, 22388 (2016).


50) Reactivity Enhancement and Fingerprints of Point Defects on a MoS2 Monolayer Assessed by ab initio Atomic Force Microscopy
C. González, Y.J. Dappe and B. Biel, Journal of Physical Chemistry C 120, 17115 (2016).


49) Molecular scale dynamics of light-induced spin crossover in a two-dimensional layer
K. Bairagi, O. Iasco, A. Bellec, A. Kartsev, D. Li, J. Lagoute, C. Chacon, Y. Girard, S. Rousset, F. Miserque, Y.J. Dappe, A. Smogunov, C. Barreteau, M.-L. Boillot, T. Mallah and V. Repain, Nature Communications 7, 12212 (2016).
Fait marquant SPEC | Actualité scientifique de l'INP du CNRS


48) Band alignment and minigaps in monolayer MoS2-graphene van der Waals heterostructures
D. Pierucci, H. Henck, J.Avila, A. Balan, C.H. Naylor, G. Patriarche, Y.J. Dappe, M.G. Silly, F. Sirotti, A.T. Charlie Johnson, M.-C. Asensio and A. Ouerghi, Nano Letters 16, 4054 (2016).


47) Large area molybdenium diulphide - epitaxial graphene vertical van der Waals heterostructures
D. Pierucci, H. Henck, C.H. Naylor, H. Sediri, E. Lhuillier, A. Balan, J.E. Rault, Y.J. Dappe, F. Bertran, P. Le Fevre, A.T. Charlie Johnson and A. Ouerghi, Scientific Report 6, 26656 (2016).


46) Perfect spin filtering by symmetry in molecular junctions
D. Li, Y.J. Dappe and A. Smogunov, Phys. Rev. B 93, 201403(R) (2016).


45) Control of Molecule-Metal Interaction by Hydrogen Manipulation in an Organic Molecule
V. D. Pham, V. Repain, C. Chacon, A. Bellec, Y. Girard, S. Rousset, A. Smogunov, Y.J. Dappe and J. Lagoute, J. Phys. Chem. Lett. 7, 1416 (2016).


44) Theoretical characterisation of point defects on a MoS2 monolayer by scanning tunnelling microscopy
C. González, B. Biel and Y.J. Dappe, Nanotechnology 27, 105702 (2016).


43) Theoretical study of carbon based tips for Scanning Tunnelling Microscopy
C. González, E. Abad, Y.J. Dappe and J.C. Cuevas, Nanotechnology 27, 105201 (2016).


42) Atomically Sharp Interface in an h-BN - epitaxial graphene van der Waals Heterostructure
H. Sediri, D. Pierucci, M. Hajlaoui, H. Henck, G. Patriarche, Y.J. Dappe, S. Yuan, B. Toury, R. Belkhou, M.G. Silly, F. Sirotti, M. Boutchich & A. Ouerghi, Scientific Report 5, 16465 (2015).


41) Tuning the work function of monolayer graphene on 4H-SiC(0001) with nitric acid
F. Günes, H. Arezki, D. Pierucci, D. Alamarguy, J. Alvarez, J.-P. Kleider, Y. J. Dappe, A. Ouerghi and M. Boutchich, Nanotechnology 26, 445702 (2015).

40) Pulling and stretching a molecular wire to tune its conductance
G. Reecht, H. Bulou, F. Scheurer, V. Speisser, F. Mathevet, C. González, Y.J. Dappe, and G. Schull, J. Phys. Chem. Lett. 6, 2987 (2015).
39) Symmetry-derived half-metallicity in atomic and molecular junctions.
A. Smogunov and Y.J. Dappe, Nano Letters 15, 3552 (2015).
Fait marquant IRAMIS



38) C60 as an atom trap to capture Co adatoms.
P. Yang, D. Li, V. Repain, C. Chacon, Y. Girard, S. Rousset, A. Smogunov, Y.J. Dappe, C. Barreteau and J. Lagoute, Journal of Physical Chemistry C 119, 6873 (2015).

37) Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene.
Y.J. Dappe, M. Andersen, R. Balog, L. Hornekaer and X. Bouju, Physical Review B 91, 045427 (2015).


36) Self-organized metal - semi-conductor epitaxial graphene layer on off-axis 4H-SiC(0001).
D. Pierucci, H. Sediri, M. Hajlaoui, E. Velez-Fort, Y.J. Dappe, M.G. Silly, R. Belkhou, A. Shukla, F. Sirotti, N. Gogneau and A. Ouerghi, NanoResearch 8, 1026 (2015). 


35) Tailoring the structure of two-dimensional self-assembled nanoarchitectures based on Ni(II)-Salen building blocks.
M. Viciano-Chumillas, D. Li, A. Smogunov, S. Latil, Y.J. Dappe, C. Barreteau, T. Mallah and F. Silly, Chemistry - A European Journal 20, 13566 (2014) 
Fait marquant du Labex NanoSaclay

34) Carbon tips for all-carbon single-molecule electronics
Y.J. Dappe, C. González and J.C. Cuevas, Nanoscale 6, 6953 (2014).
Fait marquant IRAMIS | Actualité scientifique de l'INP du CNRS | Fil Sciences & Techno du CEA (09/2014)
Lettre de la DSM 10/2014

33) Electronic properties of zero-layer graphene on 6H-SiC(0001) substrate decoupled by silicon intercalation.
M.G. Silly, G. Li and Y.J. Dappe, accepted for publication in Surface and Interface Analysis (2014).


32) Electronic and structural properties of graphene-based metal-semiconducting heterostructures engineered by silicon intercalation.
M. G. Silly, M. D'Angelo, A. Besson, Y.J. Dappe, S. Kubsky, G. Li, F. Nicolas, D. Pierucci, M. Thomasset, Carbon 76, 27 (2014).
Actualités SOLEIL 2014


31) Imaging Molecular Orbitals of PTCDA on Graphene on Pt(111) : Electronic Structure by STM and First-Principles Calculations
A.J. Martínez-Galera, N. Nicoara, J. I. Martínez, Y.J. Dappe, J. Ortega and J.M. Gómez-Rodríguez, Journal of Physical Chemistry C 118, 12782 (2014).


30) Encapsulation of organic molecules in carbon nanotubes: role of the van der Waals interactions.
Y.J. Dappe, Journal of Physics D: Applied Physics 47, 083001 (2014).

29) Electroluminescence of a Polythiophene Molecular Wire Suspended between a Metallic Surface and the Tip of a Scanning Tunneling Microscope
G. Reecht, F. Scheurer, V. Speisser, Y. J. Dappe, F. Mathevet, and G. Schull, Physical Review Letters 112, 047403 (2014), Editor's choice.
Communiqué de presse CEA-CNRS | Lettre d'actualité de la DSM 04/2014.
Voir également l’article dans Physics et les médias reprenant ces travaux Les Echos, Dernières nouvelles d’Alsace, l’Alsace,Futura-sciences, Techno-science, IEEE spectrum, Science Daily, Alpha-Galileo, New Electronics...

28) Effect of van der Waals forces on the stacking of coronenes encapsulated in a single-wall carbon nanotube and many-body excitation spectrum.
Y.J. Dappe and J.I. Martinez, Carbon 54, 113 (2013).


27) Van der Waals interactions mediating the cohesion of fullerenes on graphene.
M. Švec, P. Merino, Y. J. Dappe, C. González, E. Abad, P. Jelínek, and J. A. Martín-Gago, Physical Review B 86, 121407(R) (2012).


26) Dynamical screening of van der Waals interaction between graphene layers.
Y.J. Dappe, P.G. Bolcatto, J. Ortega and F. Flores, Journal of Physics : Condensed Matter 24, 424208 (2012).


25) On the Evolution of Pt Nanoparticles on Few-Layer Graphene Supports in the High-Temperature Range
M. S. Moldovan, H. Bulou, Y.J. Dappe, I. Janowska, D. Bégin, C. Pham-Huu, and O. Ersen, Journal of Physical Chemistry C 116, 9274 (2012).


24) Effect of the van der Waals interaction on the energetic and transport properties of a single anthracene molecule adsorbed or confined inside a carbon nanotube.
L. Debbichi, Y.J. Dappe, M. Alouani, Physical Review B 85, 045437 (2012).


23) Role of the van der Waals forces in the ability of a double-walled carbon nanotube to accommodate a C60 molecule: The example of C60@(15,0)@(24,0).
Y.J. Dappe and R. Scipioni, Physical Review B 84, 193409 (2011).


22) Electronic transport through single noble gas atoms
L.A. Zotti, M. Bürkle, Y.J. Dappe, F. Pauly, and J.C. Cuevas, Physical Review B 84, 193404 (2011).


21) Charge injection through single and double carbon bonds
G. Schull, Y.J. Dappe, C. González, H. Bulou and R. Berndt, Nanoletters 11, 3142 (2011).


20) Ultrafast nonlinear optical properties of bundles of Carbon Nanotubes.
M. Gicquel-Guezo, Y.J. Dappe, P. Turban, A. Moreac, H. Nong and S. Loualiche, Carbon 49, 2971 (2011).


19) Atomic force microscope measurement and LCAO-S2+vdW calculations of contact length between a Carbon Nanotube and a graphene surface.
M. Seydou, Y.J. Dappe, S. Marsaudon, J.P. Aime, X. Bouju, A.M. Bonnot, Physical Review B 83, 045410 (2011).


18) C6H6/Au(111) : Interface dipoles, band alignment, charging energy and van der Waals interaction
E. Abad, Y.J. Dappe, J.I. Martinez, F. Flores and J. Ortega, Journal of Chemical Physics 134, 044701 (2011).


17) Bending modes, elastic constants and mechanical stability of graphitic systems
G. Savini, Y.J. Dappe, S. Oberg, J.C. Charlier, M. I. Kastnelson and A. Fasolino, Carbon 49, 62 (2011).


16) Impact on Interface Spin Polarization of Molecular Bonding to Metallic Surfaces.
S. Javaid, M. Bowen, S. Boukari, L. Joly, J.B. Beaufrand, X. Chen, Y.J. Dappe et al, Physical Review Letters 105, 077201 (2010).


15) Influence of neighboring levels in three-pulse photon-echo processes.
A.A. Villaeys, Y.J. Dappe, K.K. Liang, S.H. Lin, Physical Review A 79, 053418 (2009).


14) Intermolecular interactions in density functional theory: application to Carbon Nanotubes and Fullerenes.
Y.J. Dappe, J. Ortega and F. Flores, Physical Review B 79, 165409 (2009).


13) Dipoles and band alignment for benzene/Au(111) and C60/Au(111) interfaces
E. Abad, J. Ortega, Y.J. Dappe and F. Flores, Applied Physics A- Materials Science and processing 95, 119 (2009).


12) Barrier Formation at Organic Interfaces in a Cu(100)-benzenethiolate-pentacene Heterostructure.
A. Kanjilal, M. Grazia Betti, Carlo Mariani, H. Vázquez, Y.J. Dappe and F. Flores, Physical Review Letters 100, 027601 (2008).


11) A unified model for metal/organic interfaces : IDIS, pillow effect and molecular permanent dipoles.
H. Vázquez, Y.J. Dappe, J. Ortega and F. Flores, Applied Surface Science 254, 378-382, (2007).


10) Energy level alignment at metal/organic semiconductor interfaces : pillow effect, induced density of interface states and charge neutrality level.
H. Vázquez, Y.J. Dappe, J. Ortega and F. Flores, Journal of Chemical Physics 126, 144703 (2007).


9) Optimized Atomic-like orbitals for first-principles Tight-Binding Molecular Dynamics.
Miguel A. Basanta, Y.J. Dappe, P. Jelinek and José Ortega, Computational Materials Science 39 (2007), 759-766.


8) Weak chemical interaction and van der Waals forces between graphene layers : A combined density-functional and intermolecular perturbation theory approach.
Y.J. Dappe, Miguel A. Basanta, José Ortega and F. Flores, Physical Review B 74, 205434 (2006).


7) Local-orbital occupancy formulation of density functional theory : Application to Si, C and graphene.
Y.J. Dappe, R. Oswaldowski, P. Pou, José Ortega, Ruben Perez and F. Flores, Physical Review B 73, 235124 (2006).


6) Van der Waals forces in the Local-Orbital-Density-Functional Theory.
Miguel A. Basanta, Y.J. Dappe, José Ortega and F. Flores, Europhysics Letters, 70 (3), 355-361 (2005).


5) Influence of the nonresonant processes in the dynamics of the image-potential states of Cu(100) and Ag(100).
Y.J. Dappe and A.A. Villaeys, Physical Review B 67, 235415 (2003).


4) Time-delayed infrared-visible probe pulses in five-wave mixing spectroscopy.
A.A. Villaeys, Y.J. Dappe, M. Zouari and H. Bouchriha, Chemical Physics Letters, 358 (2002) 130-138.


3) Study of the surface dielectric function : toward screening field effects in optical nonlinearities.
Y.J. Dappe and A.A. Villaeys, Surface Science, 507-510 (2002) 767-772.


2) Dynamics of the image surface state in two-photon photoemission spectroscopy.
A.A. Villaeys, Y.J. Dappe and F.P. Lohner, Physical Review B 63, 155113 (2001).


1) Description of the coherent and incoherent processes in two-photon photoemission on Cu(111) surface.
Y.J. Dappe, A.A. Villaeys and F.P. Lohner, Applied Surface Science. 168, 41 (2000).





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