Trends in the adsorption of 3d transition metal atoms onto graphene and nanotube surfaces: a DFT study and molecular orbital analysis H Valencia, A Gil, G Frapper
The Journal of Physical Chemistry C 114 (33), 14141-14153, 2010
211 2010 Trends in the hydrogen activation and storage by adsorbed 3d transition metal atoms onto graphene and nanotube surfaces: a DFT study and molecular orbital analysis H Valencia, A Gil, G Frapper
The Journal of Physical Chemistry C 119 (10), 5506-5522, 2015
59 2015 Ab initio study of EMIM-BF 4 molecule adsorption on Li surfaces as a model for ionic liquid/Li interfaces in Li-ion batteries H Valencia, M Kohyama, S Tanaka, H Matsumoto
Physical Review B 78 (20), 205402, 2008
43 2008 Ab initio study of EMIM-H Valencia, M Kohyama, S Tanaka, H Matsumoto
The Journal of chemical physics 131 (24), 244705, 2009
40 2009 Thermodynamic analysis of (0001) and GaN metalorganic vapor phase epitaxy A Kusaba, Y Kangawa, P Kempisty, H Valencia, K Shiraishi, Y Kumagai, ...
Japanese journal of applied physics 56 (7), 070304, 2017
36 2017 First-principles study of EMIM-FAFSA molecule adsorption on a Li (100) surface as a model for Li-ion battery electrodes H Valencia, M Kohyama, S Tanaka, H Matsumoto
The Journal of Physical Chemistry C 116 (15), 8493-8509, 2012
32 2012 Effect of palladium on the reducibility of Mn based materials: correlation with methane oxidation activity A Baylet, S Royer, C Labrugère, H Valencia, P Marecot, JM Tatibouët, ...
Physical Chemistry Chemical Physics 10 (39), 5983-5992, 2008
30 2008 Prediction of Novel Tin Nitride Snx y B Wang, R Larhlimi, H Valencia, F Guégan, G Frapper
The Journal of Physical Chemistry C 124 (15), 8080-8093, 2020
13 2020 Ab initio study of GaAs (100) surface stability over As2, H2 and N2 as a model for vapor-phase epitaxy of GaAs1− xNx H Valencia, Y Kangawa, K Kakimoto
Journal of Crystal Growth 432, 6-14, 2015
4 2015 Computational discovery of two-dimensional copper chalcogenides S Faraji, B Wang, HO Valencia, G Frapper
Physical Review Materials 5 (12), 124007, 2021
3 2021 New developments in the GDIS simulation package: Integration of VASP and USPEX H Okadome Valencia, B Wang, G Frapper, AL Rohl
Journal of Computational Chemistry 42 (22), 1602-1626, 2021
2 2021 1. イオン液体/Li 金属界面の第一原理計算: リチウムイオン電池の電解質設計に向けて 香山正憲， 田中真悟， 松本一
Electrochemistry 80 (11), 920-924, 2012
2 2012 Applications de la chimie quantique. Surfaces de molybdène nues et carburées, fonctionnalisation d'une surface carbonée (graphite ou nanotube) par un métal de transition et … H Valencia
Université de Poitiers, 2006
2 2006 High-pressure polycrystalline thin-film synthesis and semiconducting property of platinum pernitride K Niwa, T Iizuka, M Kurosawa, Y Nakamura, H Okadome Valencia, ...
AIP Advances 12 (5), 055318, 2022
2022 Supplementary information: New developments in the GDIS simulation package: integration of VASP and USPEX. HO Valencia, B Wang, G Frapper, AL Rohl
2021 Chemical beam epitaxy of GaAs1-xNx using MMHy and DMHy precursors, modeled by ab initio study of GaAs (100) surfaces stability over As2, H2 and N2 H Valencia, Y Kangawa, K Kakimoto
Journal of Crystal Growth 468, 557-561, 2017
2017 Ab initio model for GaAs1− xNx chemical beam epitaxy using GaAs (100) surface stability over As2, H2, and N2 H Valencia, Y Kangawa, K Kakimoto
Japanese journal of applied physics 56 (6), 060306, 2017
2017 イオン液体/Li 金属界面の第一原理計算 香山正憲， 田中真悟， 松本一
表面科学 34 (12), 650-655, 2013
2013 Importance of Low Coordinating Anion for Developing Lithium Secondary Batteries Using Ionic Liquids H Matsumoto, N Terasawa, H Sakaebe, S Tsuzuki, H Valencia, ...
ECS Meeting Abstracts, 194, 2011
2011 Activation de H2 par un métal de transition sur des surfaces carbonées (nanotube, graphite, C60): dihydrogène vs. dihydrure? Une étude DFT périodique. JSNum 2005, A28 p67. mai … H Valencia, G Frapper
Activation de H2 par un métal de transition sur des surfaces carbonées …, 2005
2005 
Gilles FrapperProfessor of applied quantum chemistryBestätigte E-Mail-Adresse bei univ-poitiers.fr
