L. Jeloaica

发表

Understanding the Microscopic Structure of SAMs/SiO2 Interfaces in the Presence of Water Using First-Principles Modeling

A. Dkhissi, A. Estève, M. Djafari-rouhani, 2008 .

Substrate size effects in the modeling of molecular grafting: Case of organo-silane chains on silica

A. Dkhissi, A. Estève, M. Rouhani, 2006 .

Grafting of chains organo-silane on silica surface: a quantum chemical investigation

D. Estève, A. Dkhissi, A. Estève, 2004 .

THE INTERACTION OF H ATOMS AT GRAPHITE SURFACES IN RELATION WITH H2 FORMATION IN THE INTERSTELLAR MEDIUM

D. Teillet-Billy, V. Sidis, S. Morisset, 2007 .

Multiscale Modeling of the Atomic Layer Deposition of HfO2 Thin Film Grown on Silicon: How to Deal with a Kinetic Monte Carlo Procedure.

A. Dkhissi, A. Estève, M. Rouhani, 2008, Journal of chemical theory and computation.

Comparative study of the monolayers A3Si(CH2)nOCOCH3 (A = Cl,OH) adsorpted on silica surface

D. Estève, A. Estève, M. Djafari-rouhani, 2005 .

Thermodynamic Properties of Trialkali (Li, Na, K) Hexa-alanates: A Combined DFT and Experimental Study

M. Latroche, P. Raybaud, F. Cuevas, 2008 .

DFT investigation of the adsorption of atomic hydrogen on a cluster-model graphite surface

V. Sidis, L. Jeloaica, 1999 .

Density functional theory study of HfCl4,ZrCl4, and Al(CH3)3 decomposition on hydroxylated SiO2: Initial stage of high-k atomic layer deposition

D. Estève, A. Estève, M. Rouhani, 2003 .

A methodology for the kinetic Monte Carlo simulation of alumina atomic layer deposition onto silicon

Alain Estève, L. Jeloaica, A. Estève, 2005 .

DFT investigation of HfCl4 decomposition on hydroxylated SiO2: first stage of HfO2 atomic layer deposition

D. Estève, A. Estève, M. Rouhani, 2003 .

Atomic Scale Modeling of ZrO 2 and HfO 2 Atomic Layer Deposition on Silicon: Linking Density Functional Theory and Kinetic Monte Carlo

A. Dkhissi, A. Estève, M. Rouhani, 2003 .