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M

Mostafa Youssef

The American University in Cairo

H指数:13

被引数:836

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Ab initio prediction of charged species distribution at grain boundaries: Effects of structure and dopants

ACTA MATERIALIA

IF9.3

2024-08-010

PRE

Molecular assessment of drug-phospholipid interactions consequent to cancer treatment: a study of anthracycline-induced cardiotoxicity

SCIENTIFIC REPORTS

IF3.9

2023-12-133

OAAI

Molecular Simulation of Chloride Ion Binding Mechanisms to Na-Doped Tobermorite 14 Å as a Model System for Sodium-Containing Cements

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-09-051

PRE

Compound Semiconductor Dopability Assessed via the Maximum Carrier-to-Dopant Ratio and Facilitated by an Algorithmic Determination of the Fixed Doping Level Defect Equilibria

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-09-222

PRE

Complex Oxides under Simulated Electric Field: Determinants of Defect Polarization in ABO3 Perovskites

模拟电场下的复合氧化物: ABO3钙钛矿中缺陷极化的决定因素

ADVANCED SCIENCE

IF14.1

2021-12-108

OA

Investigation of the effect of local atomic polarization on field-enhanced ion transport in insulating binary oxides: The case of CeO2

PHYSICAL REVIEW MATERIALS

IF3.4

2021-11-241

OA

Structure, Kinetics, and Thermodynamics of Water and Its Ions at the Interface with Monoclinic ZrO2 Resolved via Ab Initio Molecular Dynamics

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-07-074

OAAI

Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide

PHYSICAL REVIEW MATERIALS

IF3.4

2018-07-262

OAAI

Accessible switching of electronic defect type in SrTiO3 via biaxial strain

PHYSICAL REVIEW MATERIALS

IF3.4

2018-05-296

OAAI

Oxygen self-diffusion mechanisms in monoclinic ZrO2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations

PHYSICAL REVIEW B

IF3.7

2018-01-2925

OAAI

Thermomechanical stabilization of electron small polarons in SrTiO3 assessed by the quasiharmonic approximation

PHYSICAL REVIEW B

IF3.7

2017-04-2012

OAAI

Doping in the Valley of Hydrogen Solubility: A Route to Designing Hydrogen-Resistant Zirconium Alloys

PHYSICAL REVIEW APPLIED

IF4.4

2016-01-2633

OAAI

Effect of Niobium on the Defect Chemistry and Oxidation Kinetics of Tetragonal ZrO2

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2014-08-2537

PREAI

Predicting self-diffusion in metal oxides from first principles: The case of oxygen in tetragonal ZrO2

PHYSICAL REVIEW B

IF3.7

2014-01-1622

OA

Docking 90Sr radionuclide in cement: An atomistic modeling study

PHYSICS AND CHEMISTRY OF THE EARTH

IF4.1

2014-01-0113

PREAI

Intrinsic point-defect equilibria in tetragonal ZrO2: Density functional theory analysis with finite-temperature effects

PHYSICAL REVIEW B

IF3.7

2012-10-0973

OA

Glassy Nature of Water in an Ultraconfining Disordered Material: The Case of Calcium-Silicate-Hydrate

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2011-02-04236

PREAI

Thermochemistry of the Water Splitter SrTi0.5Mn0.5O3−δ Studied Using Density Functional Theory (DFT+U)

SrTi0.5Mn0.5O3−δ水分解催化剂的热化学性质研究：基于密度泛函理论(DFT+U)

IF4.3

0

PRE