E. A. Kotomin

University of Latvia

H指数:58

被引数:1.3万

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First-Principles Calculations of Structural, Electronic, Optical, Vibrational, Dielectric, and Elastic Properties of Tetragonal Mg2TiO4 and Mg2TiO4:Mn4+

四方相Mg2TiO4及其Mn4+掺杂的微观结构、电子、光学、振动、介电和弹性性质的密度泛函理论计算

Nanomaterials

IF4.3

2026-09-270

Selective Argon Uptake and Structural Ordering in Carbon Honeycomb Nanostructures

选择性氩气吸附与碳蜂窝纳米结构中的结构有序化

International Journal of Molecular Sciences

IF4.9

2026-08-120

First-Principles Study of Sr2–xLaxFeO4 and Comparison with Sr2FeO4-δ: The Nature of the Positively Charged Defect Determines the Character of the Electronic Structure

基于第一性原理对Sr₂₋ₓLₐFₑO₄的研究及其与Sr₂FₑO₄₋δ的比较：正电荷缺陷的性质决定了电子结构的特征

Journal of Physical Chemistry C

IF3.2

2026-08-060

PRE

Novel combustion synthesis and spectroscopic investigation of YInO3:Cr3+ polymorphs

新型燃烧合成及YInO3:Cr3+多晶型的光谱研究

mater. adv.

IF0

2026-06-150

Pseudophysical sorption of aluminum in carbon honeycomb structures

碳蜂窝结构中铝的伪物理吸附

LOW TEMPERATURE PHYSICS

IF0.8

2025-10-010

PRE

Use of Factorial Design for Calculation of Second Hyperpolarizabilities

利用因子设计计算二级超极化率

Nanomaterials 2025, Vol. 15, Page 1302

IF4.3

2025-08-230

PRE

Substrate-Controlled Response Coefficients in Thin Films

基底调控响应系数在薄膜中

Advanced Science

IF14.1

2025-08-190

OAAI

A Comparative Study of A2SiF6 (A = Cs, K) Phosphor Host Matrices: Linear Combination of Atomic Orbital Hybrid Density Functional Theory Calculations

A2SiF6 (A = Cs, K)荧光粉基质材料的比较研究：原子轨道线性组合杂化密度泛函理论计算

MATERIALS

IF3.2

2025-04-290

Electronic structure, phase formation, and defect distribution in the Ba(Ce,Fe,Acc)O3-δ system

ACTA MATERIALIA

IF9.3

2025-04-011

OAAI

Protons in (Ga,Sc,In,Y)3+-doped BaFeO3 triple conductors - Site energies and migration barriers investigated by density functional theory calculations

(Ga，Sc，in，Y)3掺杂的BaFeO3三重导体中的质子-通过密度泛函理论计算研究的位置能量和迁移势垒

SOLID STATE IONICS

IF3.3

2025-03-010

Open Questions on the Thermal Stability of Primary Electronic Centers in Irradiated MgO Single Crystals

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-01-230

PRE

First-Principles Linear Combination of Atomic Orbitals Calculations of K2SiF6 Crystal: Structural, Electronic, Elastic, Vibrational and Dielectric Properties

K2SiF6晶体的原子轨道计算的第一性原理线性组合: 结构，电子，弹性，振动和介电性质

MATERIALS

IF3.2

2024-10-021

OAAI

Effect of Rh Doping on Optical Absorption and Oxygen Evolution Reaction Activity on BaTiO3 (001) Surfaces

MOLECULES

IF4.6

2024-06-063

OAAI

The electronic, vibrational and dielectric properties of diamond crystals with neutral vacancies: first principles study

OPTICAL MATERIALS

IF4.2

2024-04-012

PRE

Computational study of oxygen evolution reaction on flat and stepped surfaces of strontium titanate

CATALYSIS TODAY

IF5.3

2024-04-011

PRE

The annealing kinetics of the F-type defects in MgAl2O4 spinel single crystals irradiated by swift heavy ions

OPTICAL MATERIALS

IF4.2

2024-01-013

PRE

Modeling of the Lattice Dynamics in Strontium Titanate Films of Various Thicknesses: Raman Scattering Studies

MATERIALS

IF3.2

2023-09-141

OAAI

Photocatalytic Water Splitting of Al-Doped Rh x Cr2-x O3/SrTiO3 Synthesized by Flux Method: Elucidating the Role of Different Molten Salts

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-05-198

PRE

Photocatalytic water splitting of improved strontium titanate for simultaneous separation of H2 in a twin photoreactor

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY

IF21.1

2023-05-0116

PRE

Effect of 'in-plane' contraction on the (001) surface of the model perovskite SrTiO3

APPLIED SURFACE SCIENCE

IF6.9

2023-04-011

PRE

E. A. Kotomin

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