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Anne Hémeryck
Anne Hémeryck
LAAS-CNRS
Adresse e-mail validée de laas.fr
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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
1242006
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
992017
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
692016
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), 2012
612012
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
602012
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
592014
Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si (100)-(2× 1)
A Hemeryck, AJ Mayne, N Richard, A Estève, YJ Chabal, ...
The Journal of chemical physics 126 (11), 2007
402007
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
392007
Basics of semiconducting metal oxide–based gas sensors
A Oprea, D Degler, N Barsan, A Hémeryck, J Rebholz
Gas sensors based on conducting metal oxides, 61-165, 2019
372019
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
342020
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
292018
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
272017
Nanoindentation of NiAl and Ni3Al 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), 2014
272014
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
262015
Simulation of single-particle displacement damage in silicon—Part III: First principle characterization of defect properties
A Jay, A Hémeryck, N Richard, L Martin-Samos, M Raine, A Le Roch, ...
IEEE Transactions on Nuclear Science 65 (2), 724-731, 2018
212018
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
202009
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
182017
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
182009
Asymmetric diffusion as a key mechanism in Ni/Al energetic multilayer processing: A first principles study
M Petrantoni, A Hemeryck, JM Ducéré, A Estève, C Rossi, MD Rouhani, ...
Journal of Vacuum Science & Technology A 28 (6), L15-L17, 2010
172010
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
172007
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