Nursultan E. Sagatov

Russian Academy of Sciences

H指数:15

被引数:610

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First-principles study of Ba3B2O3F6 fluorooxoborate: From structural prediction to physical properties under high pressure

Ba3B2O3F6氟氧硼酸盐的第一性原理研究：从结构预测到高压下的物理性质

Physica B-Condensed Matter

IF2.8

2026-09-300

PRE

Completing the alkali metal series: High-pressure -hybridized orthocarbonates of rubidium and cesium

完成碱金属系列：铷和铯的高压sp³杂化内碳酸盐

Computational Materials Science

IF3.3

2026-08-160

PRE

BaF2–B2O3 Fluorooxoborates: Insights into Electronic Structure; Mechanical Properties; and High-Pressure Stability

BaF2–B2O3 氟氧硼酸盐：电子结构、力学性质及高压稳定性的研究

The Journal of Physical Chemistry C

IF3.2

2026-07-070

PRE

Novel non-carbonate phases predicted in the Ca-C-O system under high-pressure

在Ca-C-O体系高压条件下预测的新型非碳酸盐相

Computational Materials Science

IF3.3

2026-07-010

PRE

New High-Pressure Polymorphs of Rb2CO3 and Cs2CO3: Crystal Structure Prediction and P–T Phase Diagrams

新型高压多晶型物Rb₂CO₃和Cs₂CO₃：晶体结构预测与P–T相图

Journal of Computational Chemistry

IF4.8

2026-04-020

PRE

Tuning and understanding optical behavior in antizeolite borates: The critical role of lattice dynamics

调谐和理解反沸石硼酸盐的光学行为：晶格动力学的重要作用

Physica Scripta

IF2.6

2025-12-260

PRE

Stability of Carbonate Structures with sp3-Hybridized Carbon Atoms on Decompression to Ambient Pressure

JOURNAL OF STRUCTURAL CHEMISTRY

IF1.4

2025-11-010

PRE

DFT investigation of Mn–B compounds under high pressures: Thermodynamic stability and mechanical properties

DFT研究高压下Mn–B化合物的热力学稳定性与力学性能

Vacuum

IF3.9

2025-10-210

PRE

Structural insights into thermal behavior and vibrational properties of Ni5P4

Ni5P4的热行为和振动性质的结构见解

Materials Chemistry and Physics

IF4.7

2025-10-010

PRE

Phase relations in calcium silicates, Ca 2SiO4 and CaSi 2O 5, investigated by first-principle quasi-harmonic theory

钙硅酸盐中Ca₂SiO₄和CaSi₂O₅的相关系研究：基于第一性原理准谐理论

Computational Materials Science

IF3.3

2025-06-280

PRE

High-pressure stability and mechanical properties of manganese nitrides: A DFT study

高压稳定性与锰氮化物的力学性能：一项DFT研究

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2025-06-010

PRE

K2C2O5-The First Finding of Pyrocarbonate Stable at Ambient Pressure

K2C2O5——首个在常压下稳定的焦碳酸盐的发现

CRYSTAL GROWTH & DESIGN

IF3.4

2025-05-230

PRE

Insights into the Defect Structure of NaBa12(BO3)7F4 (NBBF) Crystals Using Raman Spectroscopy: Numerical and Experimental Study

利用拉曼光谱研究NaBa12(BO3)7F4 (NBBF)晶体的缺陷结构：数值与实验研究

CRYSTAL GROWTH & DESIGN

IF3.4

2025-05-150

PRE

Ab Initio Investigation of the Stability, Electronic, Mechanical, and Transport Properties of New Double Half Heusler Alloys Ti2Pt2ZSb (Z = Al, Ga, In)

从头算研究新型双半赫斯勒合金Ti2Pt2ZSb (Z = Al, Ga, In)的稳定性、电子、力学及输运性质

METALS

IF2.5

2025-03-180

New structures of Rb2O and Cs2O stable at high pressures

在高压下稳定的Rb2O和Cs2O的新结构

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2025-01-010

PRE

Searching for Stable Beryllium Carbonates in the BeO-CO2 System

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-11-270

PRE

Dynamic Disorder of [BO3] Groups in the LiBa12(BO3)7F4 and NaBa12(BO3)7F4 Crystals

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-10-020

PRE

DFT calculations of the stability field and properties of a predicted lanthanum-scandium-aluminum garnet La 3 Sc 2 Al 3 O 12 and P-T phase diagram of Y 3 Sc 2 Al 3 O 12

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2024-07-010

PRE

The intrinsic twinning and enigmatic twisting of aragonite crystals

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2024-02-010

OAAI

Symmetry control of cation substitution in 'antizeolite' borates

MATERIALS RESEARCH BULLETIN

IF5.7

2023-11-012

PRE

Nursultan E. Sagatov

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