| First principles reaction modeling of the electrochemical interface: Consideration and calculation of a tunable surface potential from atomic and electronic structure CD Taylor, SA Wasileski, JS Filhol, M Neurock Physical Review B—Condensed Matter and Materials Physics 73 (16), 165402, 2006 | 586 | 2006 |
| Elucidation of the electrochemical activation of water over Pd by first principles JS Filhol, M Neurock Angewandte Chemie-International Edition 45 (3), 402-406, 2006 | 512 | 2006 |
| Modified charge transfer–embedded atom method potential for metal/metal oxide systems XW Zhou, HNG Wadley, JS Filhol, MN Neurock Physical Review B 69 (3), 035402, 2004 | 190 | 2004 |
| Polymorphs and colors of polydiacetylenes: a first principles study JS Filhol, J Deschamps, SG Dutremez, B Boury, T Barisien, L Legrand, ... Journal of the American Chemical Society 131 (20), 6976-6988, 2009 | 129 | 2009 |
| Thermodynamic origin of dendrite growth in metal anode batteries A Hagopian, ML Doublet, JS Filhol Energy & Environmental Science 13 (12), 5186-5197, 2020 | 122 | 2020 |
| Updated references for the structural, electronic, and vibrational properties of TiO2 (B) bulk using first-principles density functional theory calculations M Ben Yahia, F Lemoigno, T Beuvier, JS Filhol, M Richard-Plouet, ... The Journal of chemical physics 130 (20), 2009 | 120 | 2009 |
| Structure and electrical activity of rare-earth dopants in GaN JS Filhol, R Jones, MJ Shaw, PR Briddon Applied physics letters 84 (15), 2841-2843, 2004 | 120 | 2004 |
| An ab initio study of electrochemical vs. electromechanical properties: the case of CO adsorbed on a Pt (111) surface M Mamatkulov, JS Filhol Physical Chemistry Chemical Physics 13 (17), 7675-7684, 2011 | 101 | 2011 |
| Interface electrochemistry in conversion materials for Li-ion batteries AL Dalverny, JS Filhol, ML Doublet Journal of Materials Chemistry 21 (27), 10134-10142, 2011 | 94 | 2011 |
| Structure, spectroscopic and electronic properties of a well defined silica supported olefin metathesis catalyst,[([triple bond, length as m-dash] SiO) Re ([triple bond, length … X Solans-Monfort, JS Filhol, C Copéret, O Eisenstein New Journal of Chemistry 30 (6), 842-850, 2006 | 86 | 2006 |
| Synthesis and photophysical properties of stilbeneoctasilsesquioxanes. Emission behavior coupled with theoretical modeling studies suggest a 3-D excited state involving the … RM Laine, S Sulaiman, C Brick, M Roll, R Tamaki, MZ Asuncion, ... Journal of the American Chemical Society 132 (11), 3708-3722, 2010 | 79 | 2010 |
| Electrolyte reactivity in the double layer in mg batteries: an interface potential-dependent DFT study A Kopač Lautar, J Bitenc, T Rejec, R Dominko, JS Filhol, ML Doublet Journal of the American Chemical Society 142 (11), 5146-5153, 2020 | 70 | 2020 |
| Using Implicit Solvent in Ab Initio Electrochemical Modeling: Investigating Li+/Li Electrochemistry at a Li/Solvent Interface N Lespes, JS Filhol Journal of chemical theory and computation 11 (7), 3375-3382, 2015 | 65 | 2015 |
| Charge control of the water monolayer/Pd interface JS Filhol, ML Bocquet Chemical physics letters 438 (4-6), 203-207, 2007 | 64 | 2007 |
| An ab initio study of surface electrochemical disproportionation: The case of a water monolayer adsorbed on a Pd (1 1 1) surface JS Filhol, ML Doublet Catalysis today 202, 87-97, 2013 | 61 | 2013 |
| Phase diagrams for systems with low free energy variation: A coupled theory/experiments method applied to Li-graphite JS Filhol, C Combelles, R Yazami, ML Doublet The Journal of Physical Chemistry C 112 (10), 3982-3988, 2008 | 57 | 2008 |
| Modeling the HCOOH/CO2 Electrocatalytic Reaction: When Details Are Key SN Steinmann, C Michel, R Schwiedernoch, JS Filhol, P Sautet ChemPhysChem 16 (11), 2307-2311, 2015 | 54 | 2015 |
| Tuning topochemical polymerization of diacetylenes: a joint synthetic, structural, photophysical, and theoretical study of a series of analogues of a known reactive monomer, 1 … J Deschamps, M Balog, B Boury, M Ben Yahia, JS Filhol, A van Der Lee, ... Chemistry of Materials 22 (13), 3961-3982, 2010 | 40 | 2010 |
| Microwave synthesis of a long-lasting phosphor D Zitoun, L Bernaud, A Manteghetti, JS Filhol Journal of Chemical Education 86 (1), 72, 2009 | 39 | 2009 |
| Conceptual surface electrochemistry and new redox descriptors JS Filhol, ML Doublet The Journal of Physical Chemistry C 118 (33), 19023-19031, 2014 | 38 | 2014 |
Marie-Liesse DOUBLETCNRS - Univ. Montpellier, France在 umontpellier.fr 的电子邮件经过验证
