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Boubakar Diawara

université psl

H指数:21

被引数:1,372

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Protection of Stainless Steels by Mo against Cl Attack: A DFT Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-02-060

PRE

DFT study on Mo-stabilized passive films: Hydroxylation effects on chromium and iron oxide surfaces

CORROSION SCIENCE

IF8.5

2024-06-011

OAAI

Mechanistic insights to CO2 adsorption and activation on hydroxylated chromia (0001) surface

MATERIALS TODAY COMMUNICATIONS

IF4.5

2024-03-010

PRE

Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

CORROSION SCIENCE

IF8.5

2023-11-0113

OAAI

Effects of surface orientations of Cr2O3 on CO2 adsorption: A DFT approach

Cr2O3的表面取向对CO2吸附的影响: DFT方法

APPLIED SURFACE SCIENCE

IF6.9

2020-11-0130

OAAI

New insights in self-assembled monolayer of imidazolines on iron oxide investigated by DFT

DFT研究氧化铁上咪唑啉自组装单层的新见解

APPLIED SURFACE SCIENCE

IF6.9

2018-10-0115

PREAI

DFT study of the adsorption and dissociation of 5-hydroxy-3-butanedithiol-1,4-naphthaquinone (Jug-C4-thiol) on Au(111) surface

5-羟基-3-丁二硫醇-1，4-萘醌 (Jug-C4-thiol) 在Au(111) 表面吸附和解离的DFT研究

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

IF3.1

2018-01-175

PREAI

First-principles investigation of the structural and electronic properties of self-assemblies of functional molecules on graphene

SUPERLATTICES AND MICROSTRUCTURES

IF3.3

2017-05-019

OAAI

Density Functional Theory Study of Monoethanolamine Adsorption on Hydroxylated Cr2O3 Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-09-298

PREAI

Investigations of the microstructural response to a cold forging process of the 6082-T6 alloy

MATERIALS & DESIGN

IF7.9

2015-03-0128

PREAI

Structural, Magnetic, Electronic, Defect, and Diffusion Properties of Cr2O3: A DFT+U Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2014-07-1683

PREAI

Multi-Scale Modeling of the Initial Stages of Anodic Oxidation of Titanium

JOURNAL OF THE ELECTROCHEMICAL SOCIETY

IF3.3

2014-05-105

PREAI

Elaboration of Hydrogen-Bonded 2D Supramolecular Assemblies on Au(111) From Solutions: Toward Naphthalene Tetracarboxylic Diimide-Melamine Nanoporous Networks

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2013-04-1919

PREAI

Oxide Film Growth Kinetics on Metals and Alloys II. Numerical Simulation of Transient Behavior

JOURNAL OF THE ELECTROCHEMICAL SOCIETY

IF3.3

2013-03-1350

OA

Synergy between iono-covalent bonds and van der Waals interactions in SAMs formation: A first-principles study of adsorption of carboxylic acids on the Zn-ZnO(0001) surface

CATALYSIS TODAY

IF5.3

2011-11-0131

PREAI

Dependence of pressure on elastic, electronic and optical properties of CeO2 and ThO2: A first principles study

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2011-05-0130

PREAI

Biomolecule-Biomaterial Interaction: A DFT-D Study of Glycine Adsorption and Self-Assembly on Hydroxylated Cr2O3 Surfaces

IF3.9

2011-02-2144

PREAI

Reconstruction of TiAl Intermetallic Surfaces: A Combined STM and DFT Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2011-02-079

PREAI

Nucleation and Growth of Oxide Layers on Stainless Steels (FeCr) Using a Virtual Oxide Layer Model

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2010-10-2844

PREAI

Insight of DFT and atomistic thermodynamics on the adsorption and insertion of halides onto the hydroxylated NiO(111) surface

CORROSION SCIENCE

IF8.5

2010-08-0164

PREAI