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A.V. Gil Rebaza

instituto de física la plata iflp

H指数:12

被引数:390

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The presence of oxygen vacancies and its role as a double-edged sword in anatase TiO2/polymerized carbon nitride composites for oxidative and reductive photocatalytic reactions

锐钛矿型TiO2/聚碳氮化物复合材料中氧空位的存在及其在氧化和还原光催化反应中作为双刃剑的作用

Materials Chemistry and Physics

IF4.7

2025-10-030

PRE

Hydrogen adsorption on alkali and alkaline earth functionalized silicene: A first-principles and kinetic modeling study

氢在碱金属和碱土金属功能化硅烯上的吸附：一项基于第一性原理和动力学模型的研究

International Journal of Hydrogen Energy

IF8.3

2025-09-100

OAAI

Shape-responsive host-guest chemistry: metal-free tetracationic porphyrin nonplanarity promoted by clay mineral interactions assessed by theoretical simulations

DALTON TRANSACTIONS

IF3.3

2025-01-010

PRE

Adsorption of H on the ZnO(0001) Surface and d0 Magnetism: An Ab Initio Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-12-170

PRE

Tailoring electronic structure and thermodynamic stability of (Al , In)-substituted GaAs: Ab-initio insights into bulk and (001) surfaces

MATERIALS TODAY COMMUNICATIONS

IF4.5

2024-12-010

OAAI

Theoretical model for the magnetic structure of the tellurite sulfates Na2Cu5(TeO3)(SO4)3(OH)4 and K2Cu5(TeO3)(SO4)3(OH )4

PHYSICAL REVIEW B

IF3.7

2022-11-103

OA

Sorption of Sr on montmorillonite clays: Theoretical and experimental study

APPLIED SURFACE SCIENCE

IF6.9

2022-08-012

PRE

Structural, Electronic, Magnetic, and Hyperfine Properties of V-doped SnO2 (Sn1-xVxO2, x: 0, 0.042, 0.084, and 0.125). A DFT-Based Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-05-195

PREAI

Structural, vibrational and electronic properties in the glass-crystal transition of thin films Sb70Te30 doped with Sn

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2020-12-0113

OAAI

Optimizing configurations for determining the magnetic model based on ab initio calculations

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2020-06-011

OAAI

The GIPAW approach for the study of local structures and the electric field gradients at Cd and Ta impurity sites. Application to doped yttria ceramics

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2020-01-014

PREAI

Ab-initio approach to the stability and the structural, electronic and magnetic properties of the (001) Znfe2O4 surface terminations

APPLIED SURFACE SCIENCE

IF6.9

2020-01-0114

OAAI

Structural, Electronic, and Magnetic Properties and Hyperfine Interactions at the Fe Sites of the Spinel TiFe2O4. Ab Initio, XANES, and Mossbauer Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-08-138

PREAI

Structural and Mossbauer study of (Sb0.70Te0.30)100-xSnx alloys with x=0, 2.5, 5.0 and 7.5

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2019-07-017

OAAI

Ab-initio studies of electronic, structural and thermophysical properties of the Sr2TiMoO6 double perovskite

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2019-01-0120

PREAI

Indium local geometry in In-Sb-Te thin films using XANES and DFT calculations

使用XANES和DFT计算的in-sb-te薄膜中的铟局部几何形状

APPLIED SURFACE SCIENCE

IF6.9

2017-12-014

PREAI

Magnetism and stability interplay: Correlations in simple BCC-based Fe intermetallic compounds

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2016-12-011

OAAI

First principles and experimental studies of the structural and magnetic ground state of the ternary compound MnFe3N

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2016-10-0110

PREAI

Ab Initio Study of the Structural, Electronic, Magnetic, and Hyperfine Properties of GaxFe4-xN (0.00 ≤ x ≤ 1.00) Nitrides (vol 115, pg 23081, 2011)

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2013-05-070

PREAI

Structural, magnetic, multiferroic and electronic properties of Sr2ZrMnO6 double perovskite

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2013-02-0122

PREAI