M.V. Lalić

universidad

H指数:18

被引数:1,855

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Unveiling the mechanism of Jahn-Teller distortion and magnetic suppression in LiNiO2 during delithiation: Insights from electron redistribution

揭示LiNiO2脱锂过程中Jahn-Teller畸变和磁性抑制的机制：来自电子重新分布的见解

Journal of Physics and Chemistry of Solids

IF4.9

2026-01-200

PRE

Magnetic, electronic, optical, and photocatalytic properties of the sillenite Bi12FeO20 compound

钇铋石 Bi12FeO20 化合物的磁性、电学、光学和光催化性能

Computational Condensed Matter

IF3.9

2026-01-020

PRE

Structural, electronic, and optical properties of polymorphic phases of the LiBaPO4 compound

LiBaPO4化合物的多晶型相的结构、电子和光学性质

SOLID STATE COMMUNICATIONS

IF2.4

2025-10-010

PRE

Structural and electronic properties of APO4 (A = Sc; Lu; Y) orthophosphates under high pressure: a first-principles study

APO4 (A = Sc; Lu; Y)正磷酸盐在高压下的结构和电子性质：第一性原理研究

Physica Scripta

IF2.6

2025-09-110

PRE

First-principles study of the electronic, optical, and photovoltaic properties of ferroelectric NaBiSe2

铁电材料NaBiSe2的电子、光学及光伏特性第一性原理研究

Computational Materials Science

IF3.3

2025-08-270

PRE

Accelerating Cathode Design for Zinc-Ion Batteries Using Data-Driven Screening and Ab Initio Calculations

基于数据驱动筛选和从头计算加速锌离子电池正极设计

J. Mater. Chem. A

IF9.5

2025-07-250

PRE

Rapid screening strategy for aluminum-ion battery cathode materials using data-driven filtering and Ab initio calculations

基于数据驱动筛选和第一性原理计算的铝离子电池正极材料快速筛选策略

Journal of Physics and Chemistry of Solids

IF4.9

2025-06-160

PRE

Ab initio investigation of ZnV2O4, ZnV2S4, and ZnV2Se4 as cathode materials for aqueous zinc-ion batteries

从头开始研究ZnV2O4，ZnV2S4和ZnV2Se4作为水性锌离子电池的阴极材料

ACTA MATERIALIA

IF9.3

2025-01-010

PRE

Effects of oxygen vacancies on the structural, electronic, and optical properties of the photocatalytic InTaO4 compound

氧空位对光催化InTaO4化合物的结构，电子和光学性质的影响

OPTICAL MATERIALS

IF4.2

2024-06-011

PRE

Charging behavior of ZnMn2O4 and LiMn2O4 in a zinc- and lithium-ion battery: an ab initio study

ZnMn2O4和LiMn2O4在锌离子和锂离子电池中的充电行为: 从头算研究

JOURNAL OF PHYSICS-ENERGY

IF6.3

2024-04-252

Electronic, optical, and photovoltaic properties of the NaBiS2 compound with orthorhombic structure: A highly perspective photoferroic material

OPTICAL MATERIALS

IF4.2

2024-02-011

PRE

Structural, electronic and optical properties of the YVO4:Eu3+red phosphor

OPTICAL MATERIALS

IF4.2

2023-09-014

PRE

Photoferroic prospective of multiferroic HoMnO3 compound, evaluated on the base of the DFT study of its magnetic, electronic, and optical properties

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2023-06-012

PRE

Pressure effect on the structural, electronic, and magnetic properties of the battery cathode material LiMn2O4: An ab-initio study

压力对电池阴极材料LiMn2O4的结构，电子和磁性能的影响: 从头算研究

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2023-04-013

OAAI

Electronic and optical properties of multifunctional R3c AFeO3 (A = Sc or In) compounds: Insights into their potential for photovoltaic applications

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2022-01-014

PRE

Electronic, optical, and photocatalytic properties of the wolframite InNbO4 and InTaO4 compounds

OPTICAL MATERIALS

IF4.2

2022-01-018

PRE

Structural, electronic and optical characterization of substitutional Ag defect in Li2B4O7 scintillator

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2020-11-014

PREAI

Non-collinear spin DFT study of the ground state magnetic structure, optical and electronic properties of the hexagonal LuFeO3 multiferroic

非共线自旋DFT研究六角形LuFeO3多铁性的基态磁结构，光学和电子性质

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2020-01-017

PREAI

Theoretical study of electronic and optical properties of the scheelite MWO4 (M = Ca, Sr or Ba) compounds by applying the modified Becke-Johnson exchange-correlation potential

OPTICAL MATERIALS

IF4.2

2019-06-0121

PREAI

First-principles study of structural, electronic, energetic and optical properties of substitutional Cu defect in Li2B4O7 scintillator

Li2B4O7闪烁体中替代Cu缺陷的结构，电子，能量和光学性质的第一性原理研究

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2018-02-017

PREAI

M.V. Lalić

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