Source: http://iramis.cea.fr/Pisp/yannick.dappe/
Timestamp: 2019-04-22 19:07:41+00:00

Document:
Electronic structure calculation, Density Functional Theory (DFT), Fireball, weak and van der Waals interactions.
Transport properties and Scanning Tuneling Microscope image modelling, Molecular Electronics.
France Culture, "La Recherche montre en main : Daniela Di Felice"
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).
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.
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, accepted for publication in ACS Nano (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.
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).
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).
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).
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.
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).
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).
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).
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).
C. González, Y.J. Dappe and B. Biel, Journal of Physical Chemistry C 120, 17115 (2016).
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).
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).
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).
D. Li, Y.J. Dappe and A. Smogunov, Phys. Rev. B 93, 201403(R) (2016).
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).
C. González, B. Biel and Y.J. Dappe, Nanotechnology 27, 105702 (2016).
C. González, E. Abad, Y.J. Dappe and J.C. Cuevas, Nanotechnology 27, 105201 (2016).
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).
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).
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).
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.
Y.J. Dappe, C. González and J.C. Cuevas, Nanoscale 6, 6953 (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).
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).
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.
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).
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).
L.A. Zotti, M. Bürkle, Y.J. Dappe, F. Pauly, and J.C. Cuevas, Physical Review B 84, 193404 (2011).
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).
E. Abad, Y.J. Dappe, J.I. Martinez, F. Flores and J. Ortega, Journal of Chemical Physics 134, 044701 (2011).
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).
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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