Shūji Ogata

Nagoya Institute of Technology

H指数:29

被引数:3,021

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Molecular origin of acid-triggered degradation in recyclable hexahydro-s-triazine epoxy thermosets

可回收六氢-s-三嗪环氧热固性材料中酸引发降解的分子起源

Polymer Degradation and Stability

IF7.4

2026-08-250

Adhesion strength of aluminium surfaces coated with silane coupling protective layers via acid-base interactions

通过酸碱相互作用涂覆硅烷偶联保护层的铝表面附着力强度

RSC Applied Interfaces

IF0

2026-01-010

PRE

Why do oxygen-vacancies segregate to domain walls in BaTiO3?: Atomistic free-energy analysis

为什么氧空位会富集于BaTiO3的畴壁？: 原子尺度自由能分析

Materials Letters

IF2.7

2025-11-050

PRE

Unique temperature-dependence of polarization switching paths in ferroelectric BaTiO3: A molecular dynamics simulation study

铁电BaTiO3中极化翻转路径的独特的温度依赖性：一项分子动力学模拟研究

Acta Materialia

IF9.3

2025-06-050

Parameterization of a phase field model for ferroelectrics from molecular dynamics data

从分子动力学数据中参数化铁电体的相场模型

ACTA MATERIALIA

IF9.3

2025-01-010

Design and Mechanistic Insights into α-Helical p-Terphenyl Guanidines as Potent Small-Molecule Antifreeze Agents

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2024-09-050

PRE

Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations

APPLIED PHYSICS LETTERS

IF3.6

2024-03-264

Probing collective terahertz vibrations of a hydrogen-bonded water network at buried electrochemical interfaces

CHEMICAL SCIENCE

IF7.4

2023-01-013

OAAI

Pressure-assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum-classical simulations

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2022-11-223

PRE

First-Principles Simulation Study on the Weakening of Silane Coupling to Silica under Alkaline Conditions

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-10-124

FE-CLIP: A tool for the calculation of the solid-liquid interfacial free energy

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2020-09-011

PREAI

Large-scale DFT simulation of quinone molecules encapsulated in single-walled carbon nanotube for novel Li-ion battery cathode

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2020-01-0110

PREAI

Hybrid Quantum-Classical Simulation of Li Ion Dynamics and the Decomposition Reaction of Electrolyte Liquid at a Negative-Electrode/Electrolyte Interface

锂离子动力学的混合量子经典模拟和电解质液体在负极/电解质界面的分解反应

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-04-0112

PREAI

Efficient scheme for calculating work of adhesion between a liquid and polymer-grafted substrate

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-08-136

PREAI

Unveiling the Chemical Reactions Involved in Moisture-Induced Weakening of Adhesion between Aluminum and Epoxy Resin

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-07-1634

OAAI

Combination of first-principles molecular dynamics and XANES simulations for LiCoO2-electrolyte interfacial reactions in a lithium-ion battery

锂离子电池中LiCoO2-electrolyte界面反应的第一性原理分子动力学和XANES模拟的结合

PHYSICAL REVIEW B

IF3.7

2017-07-0516

PREAI

Moisture-Induced Reduction of Adhesion Strength between Surface Oxidized Al and Epoxy Resin: Dynamics Simulation with Electronic Structure Calculation

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-06-2146

PREAI

Thermal diffusion of correlated Li-ions in graphite: A hybrid quantum-classical simulation study

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2015-10-016

PREAI

A molecular dynamics study on thermal conductivity of thin epoxy polymer sandwiched between alumina fillers in heat-dissipation composite material

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

IF5.8

2015-10-0128

PREAI

Molecular dynamics and Monte Carlo hybrid simulation for fuzzy tungsten nanostructure formation

NUCLEAR FUSION

IF4

2015-06-1582

PREAI

Shūji Ogata

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