A. Estève

Centre National de la Recherche Scientifique — France

Engineering · Physical Sciences

9h-index307citations24works0.02yr avg
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Research Topics

Semiconductor materials and devices(8), Molecular Junctions and Nanostructures(6), Polymer Surface Interaction Studies(5), Force Microscopy Techniques and Applications(4), Silicon Nanostructures and Photoluminescence(4)

Publications24 total

How Thermal Aging Affects Ignition and Combustion Properties of Reactive Al/CuO Nanolaminates: A Joint Theoretical/Experimental Study
Nanomaterials·2020· 13 citedOpen Access
Speeding up the unique assets of atomic layer deposition
Materials Today Chemistry·2019· 98 cited
On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation
The Journal of Chemical Physics·2012· 46 cited
Mimicking DNA stretching with the Static Mode method: Shear stress versus transverse pulling stress
The European Physical Journal E·2012· 3 cited
Bringing aptamers into technologies: Impact of spacer terminations
Applied Physics Letters·2012· 6 cited
Introducing densification mechanisms into the modelling of HfO2 atomic layer deposition
Thin Solid Films·2011· 11 cited
Tail effect on trihydroxysilanes dimerization: A dispersion-corrected density functional theory study
Surface Science·2011· 2 cited
Multi-scale modelling of silicon nanocrystal synthesis by Low Pressure Chemical Vapor Deposition
Thin Solid Films·2011· 10 citedOpen Access
A Matlab user interface for optical properties of aerosols in internal and external mixture
Optica Pura y Aplicada·2011
Asymmetric diffusion as a key mechanism in Ni/Al energetic multilayer processing: A first principles study
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films·2010· 17 citedOpen Access
First-principles study of near surface point defects stability in Si (100) and SiGe(100)
Thin Solid Films·2009· 3 cited
Periodic boundary versus quantum cluster approaches in the simulation of a nanoenergetic metallic model-system: Ni/Al(111) surface reactions
Journal of Physics and Chemistry of Solids·2009· 5 cited
Fundamental steps towards interface amorphization during silicon oxidation: Density functional theory calculations
Physical Review B·2009· 19 cited
The Static Modes: An alternative approach for the treatment of macro- and bio-molecular induced-fit flexibility
The European Physical Journal E·2009· 8 cited
Understanding the Microscopic Structure of SAMs/SiO<sub>2</sub>Interfaces in the Presence of Water Using First-Principles Modeling
The Journal of Physical Chemistry C·2008· 5 cited
Towards multiscale modeling of Si nanocrystals LPCVD deposition on SiO2: From ab initio calculations to reactor scale simulations
Surface and Coatings Technology·2007· 4 citedOpen Access
Diffusion of oxygen atom in the topmost layer of the Si(100) surface: Structures and oxidation kinetics
Surface Science·2007· 29 cited
Substrate size effects in the modeling of molecular grafting: Case of organo-silane chains on silica
Chemical Physics·2005· 12 cited
Comparative study of the monolayers A3Si(CH2)nOCOCH3 (A=Cl,OH) adsorpted on silica surface
Computational Materials Science·2005· 2 cited
Grafting of chains organo-silane on silica surface: a quantum chemical investigation
Chemical Physics Letters·2004· 8 cited
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Frequent Co-authors

M. Djafari Rouhani(9), G. Landa(9), M. Djafari Rouhani(8), D. Estève(8), A. Dkhissi(6), Anne Hémeryck(5), L. Jeloaica(5), Jean‐Marie Ducéré(4), Carole Rossi(4), N. Richard(4), Marie Brut(3), M. Djafari-Rouhani(3), Cloé Lanthony(2), M. Petrantoni(2), Ilyes Zahi(2), P. Mur(2), Hugues Vergnes(2), Brigitte Caussat(2), David Muñoz‐Rojas(1), Tony Maindron(1)