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On the early stage of aluminum oxidation: an extraction mechanism via oxygen cooperation

The Journal of chemical physics, 2012-09, Vol.137 (9), p.094707-094707

2012

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Oxidation of Mg atomic monolayer onto silicon: A road toward MgOx/Mg2Si (11–1)/Si (100) heterostructure

Surface science, 2015-12, Vol.642, p.L1-L5

2015

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Role of impurities, defects and their complexes on the trapping of hydrogen in bulk aluminum and on the Al(111) surface

Computational materials science, 2017-01, Vol.126, p.272-279

2017

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

Journal of chemical theory and computation, 2008-11, Vol.4 (11), p.1915-1927

2008

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Interface structure of deposited GaSb on GaAs (001): Monte Carlo simulation and experimental study

Journal of materials science, 2012-02, Vol.47 (4), p.1684-1689

2012

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Nucleation and growth of atomic layer deposition of HfO2 gate dielectric layers on silicon oxide: a multiscale modelling investigation

PCCP. Physical chemistry chemical physics (Print), 2009-01, Vol.11 (19), p.3701-3709

2009

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Tail effect on trihydroxysilanes dimerization: A dispersion-corrected density functional theory study

Surface science, 2012, Vol.606 (1), p.7-11

2012

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Active oxidation: Silicon etching and oxide decomposition basic mechanisms using density functional theory

Surface science, 2007-05, Vol.601 (9), p.2082-2088

2007

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Mimicking DNA stretching with the Static Mode method: Shear stress versus transverse pulling stress

The European physical journal. E, Soft matter and biological physics, 2012-08, Vol.35 (8), p.75, Article 75

2012

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Defect generation during silicon oxidation: A Kinetic Monte Carlo study

Thin solid films, 2012-05, Vol.520 (14), p.4734-4740

2012

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Diffusion of oxygen atom in the topmost layer of the Si(1 0 0) surface: Structures and oxidation kinetics

Surface science, 2007-06, Vol.601 (11), p.2339-2343

2007

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A Monte Carlo investigation of growth and characterization of heteroepitaxial thin films

Thin solid films, 2009-10, Vol.517 (23), p.6260-6263

2009

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Self-Assembled Monolayers and Preorganization of Organosilanes Prior to Surface Grafting onto Silica: A Quantum Mechanical Study

Journal of the American Chemical Society, 2005-07, Vol.127 (27), p.9776-9780

2005

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A Monte Carlo investigation of Gallium and Arsenic migration on GaAs(100) surface

Applied nanoscience, 2011-05, Vol.1 (1), p.59-65

2011

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First-principles study of near surface point defects stability in Si (100) and SiGe(100)

Thin solid films, 2010-02, Vol.518 (9), p.2418-2421

2010

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Oxidation of Germanium and Silicon surfaces (100): a comparative study through DFT methodology

IOP conference series. Materials Science and Engineering, 2012-12, Vol.41 (1), p.12007-10

2012

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Towards multiscale modeling of si nanocrystals LPCVD deposition on SiO2 : From ab initio calculations to reactor scale simulations

Surface & coatings technology, 2007-09, Vol.201 (22-23), p.8854-8858

2007

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

Applied physics letters, 2003-07, Vol.83 (3), p.542-544

2003

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Difficulty for oxygen to incorporate into the silicon network during initial O 2 oxidation of Si ( 100 ) - ( 2 × 1 )

The Journal of chemical physics, 2007-03, Vol.126 (11), p.114707-114707-6

2007

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Multi-scale modelling of silicon nanocrystal synthesis by Low Pressure Chemical Vapor Deposition

Thin solid films, 2011-09, Vol.519 (22), p.7650-7658

2011

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Fundamental steps towards interface amorphization during silicon oxidation: Density functional theory calculations

Physical review. B, Condensed matter and materials physics, 2009-01, Vol.79 (3), Article 035317

2009

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Introducing densification mechanisms into the modelling of HfO2 atomic layer deposition

Thin solid films, 2012-05, Vol.520 (14), p.4559-4563

2012

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Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si(100)-(2x1)

The Journal of chemical physics, 2007-03, Vol.126 (11), p.114707-114707

2007

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

Computational materials science, 2005-04, Vol.33 (1), p.74-82

2005

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

Journal of physical chemistry. C, 2008-04, Vol.112 (14), p.5567-5572

2008

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On the early stage of aluminum oxidation: an extraction mechanism via oxygen cooperation

Oxidation of Mg atomic monolayer onto silicon: A road toward MgOx/Mg2Si (11–1)/Si (100) heterostructure

Role of impurities, defects and their complexes on the trapping of hydrogen in bulk aluminum and on the Al(111) surface

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

Interface structure of deposited GaSb on GaAs (001): Monte Carlo simulation and experimental study

Nucleation and growth of atomic layer deposition of HfO2 gate dielectric layers on silicon oxide: a multiscale modelling investigation

Tail effect on trihydroxysilanes dimerization: A dispersion-corrected density functional theory study

Active oxidation: Silicon etching and oxide decomposition basic mechanisms using density functional theory

Mimicking DNA stretching with the Static Mode method: Shear stress versus transverse pulling stress

Defect generation during silicon oxidation: A Kinetic Monte Carlo study

Diffusion of oxygen atom in the topmost layer of the Si(1 0 0) surface: Structures and oxidation kinetics

A Monte Carlo investigation of growth and characterization of heteroepitaxial thin films

Self-Assembled Monolayers and Preorganization of Organosilanes Prior to Surface Grafting onto Silica: A Quantum Mechanical Study

A Monte Carlo investigation of Gallium and Arsenic migration on GaAs(100) surface

First-principles study of near surface point defects stability in Si (100) and SiGe(100)

Oxidation of Germanium and Silicon surfaces (100): a comparative study through DFT methodology

Towards multiscale modeling of si nanocrystals LPCVD deposition on SiO2 : From ab initio calculations to reactor scale simulations

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

Difficulty for oxygen to incorporate into the silicon network during initial O 2 oxidation of Si ( 100 ) - ( 2 × 1 )

Multi-scale modelling of silicon nanocrystal synthesis by Low Pressure Chemical Vapor Deposition

Fundamental steps towards interface amorphization during silicon oxidation: Density functional theory calculations

Introducing densification mechanisms into the modelling of HfO2 atomic layer deposition

Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si(100)-(2x1)

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

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

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