Synthesis, structural studies, theoretical calculations, and linear and nonlinear optical properties of terpyridyl lanthanide complexes: new evidence for the contribution of f … K Sénéchal-David, A Hemeryck, N Tancrez, L Toupet, JAG Williams, ...
Journal of the American Chemical Society 128 (37), 12243-12255, 2006
118 2006 Ambient Humidity Influence on CO Detection with SnO2 Gas Sensing Materials. A Combined DRIFTS/DFT Investigation S Wicker, M Guiltat, U Weimar, A Hémeryck, N Barsan
The Journal of Physical Chemistry C 121 (45), 25064-25073, 2017
69 2017 On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation C Lanthony, JM Ducéré, MD Rouhani, A Hemeryck, A Estève, C Rossi
The Journal of chemical physics 137 (9), 094707, 2012
52 2012 Elementary surface chemistry during CuO/Al nanolaminate-thermite synthesis: copper and oxygen deposition on aluminum (111) surfaces C Lanthony, M Guiltat, JM Ducéré, A Verdier, A Hémeryck, ...
ACS applied materials & interfaces 6 (17), 15086-15097, 2014
49 2014 A computational chemist approach to gas sensors: Modeling the response of SnO2 to CO, O2, and H2O Gases JM Ducéré, A Hemeryck, A Estève, MD Rouhani, G Landa, P Ménini, ...
Journal of computational chemistry 33 (3), 247-258, 2012
46 2012 Simulation of single particle displacement damage in silicon–Part II: Generation and long-time relaxation of damage structure A Jay, M Raine, N Richard, N Mousseau, V Goiffon, A Hémeryck, ...
IEEE Transactions on Nuclear Science 64 (1), 141-148, 2016
45 2016 Difficulty for oxygen to incorporate into the silicon network during initial A Hemeryck, AJ Mayne, N Richard, A Estève, YJ Chabal, ...
The Journal of chemical physics 126 (11), 114707, 2007
39 2007 Diffusion of oxygen atom in the topmost layer of the Si (1 0 0) surface: Structures and oxidation kinetics A Hemeryck, N Richard, A Estève, MD Rouhani
Surface science 601 (11), 2339-2343, 2007
36 2007 Insight into the bonding of silanols to oxidized aluminum surfaces M Poberžnik, D Costa, A Hemeryck, A Kokalj
The Journal of Physical Chemistry C 122 (17), 9417-9431, 2018
26 2018 Role of alumina coatings for selective and controlled bonding of DNA on technologically relevant oxide surfaces T Calais, B Playe, JM Ducéré, JF Veyan, S Rupich, A Hemeryck, ...
The Journal of Physical Chemistry C 119 (41), 23527-23543, 2015
23 2015 Finding reaction pathways and transition states: r-ARTn and d-ARTn as an efficient and versatile alternative to string approaches A Jay, C Huet, N Salles, M Gunde, L Martin-Samos, N Richard, G Landa, ...
Journal of Chemical Theory and Computation 16 (10), 6726-6734, 2020
22 2020 Nanoindentation of NiAl and Ni3 Al crystals on (100), (110), and (111) surfaces: A molecular dynamics study R Seymour, A Hemeryck, K Nomura, W Wang, RK Kalia, A Nakano, ...
Applied Physics Letters 104 (14), 141904, 2014
20 2014 Fundamental steps towards interface amorphization during silicon oxidation: Density functional theory calculations A Hémeryck, A Estève, N Richard, MD Rouhani, YJ Chabal
Physical Review B 79 (3), 035317, 2009
20 2009 Basics of semiconducting metal oxide–based gas sensors A Oprea, D Degler, N Barsan, A Hemeryck, J Rebholz
Gas Sensors Based on Conducting Metal Oxides, 61-165, 2019
19 2019 DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO2 surface A Hémeryck, A Motta, C Lacaze-Dufaure, D Costa, P Marcus
Applied Surface Science 426, 107-115, 2017
18 2017 A kinetic Monte Carlo study of the initial stage of silicon oxidation: Basic mechanisms-induced partial ordering of the oxide interfacial layer A Hémeryck, A Estève, N Richard, MD Rouhani, G Landa
Surface Science 603 (13), 2132-2137, 2009
18 2009 Active oxidation: Silicon etching and oxide decomposition basic mechanisms using density functional theory A Hemeryck, N Richard, A Estève, MD Rouhani
Surface science 601 (9), 2082-2088, 2007
18 2007 Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective aluminum (111) surface using first principles calculations M Guiltat, M Brut, S Vizzini, A Hémeryck
Surface Science 657, 79-89, 2017
16 2017 Bottom-up modeling of Al/Ni multilayer combustion: Effect of intermixing and role of vacancy defects on the ignition process A Hémeryck, JM Ducéré, C Lanthony, A Estève, C Rossi, ...
Journal of Applied Physics 113 (20), 204301, 2013
14 2013 Effects of solvation shells and cluster size on the reaction of aluminum clusters with water W Mou, S Ohmura, A Hemeryck, F Shimojo, RK Kalia, A Nakano, ...
AIP Advances 1 (4), 042149, 2011
13 2011 
Georges LandaDirecteur de Recherches CNRSAdresse e-mail validée de laas.fr
