Minoru Otani

university of tsukuba

H指数:36

被引数:6,545

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ESM–RISM-based evaluation of reaction-condition electron chemical potential, activation barrier, and local solute effects for elementary Al dissolution at an oxide-free Al(001)/acidic NaCl–HCl(aq) interface

基于ESM–RISM的反应条件下电子化学势、活化能垒和局部溶质效应的评估：用于无氧化物Al(001)/酸性NaCl–HCl(aq)界面中基元铝溶解

Computational Materials Science

IF3.3

2026-08-180

PRE

An Efficient Implementation of the ESM-RISM Method for Simulating Electrode/Electrolyte Interfaces

ESM-RISM方法在模拟电极/电解质界面中的高效实现

Journal of Chemical Theory and Computation

IF5.5

2026-03-250

PRE

Unraveling the nitrogen fixation and electrochemical reduction to ammonia on IrO2 (1 1 0): DFT, ESM-RISM, and microkinetic simulation

揭示IrO2 (1 1 0)上的氮气固定和电化学还原制氨：DFT、ESM-RISM和微观动力学模拟

Journal of Catalysis

IF6.5

2025-11-170

PRE

Kinetic Suppression of Anion Intercalation into Cathode Conductive Carbon in High-Voltage Lithium Batteries

高压锂离子电池中阴离子在正极导电碳材料中的动力学抑制插入

ACS Applied Materials & Interfaces

IF8.2

2025-10-230

PRE

First-principles investigation of electrified monolayered MoS2/water interface

基于第一性原理对电化学活化单层MoS2/水界面的研究

SURFACE SCIENCE

IF1.8

2025-10-010

OAAI

Anion adsorption-induced charge separation at the alumina/aluminum interface

氧化铝/铝界面处的阴离子吸附诱导电荷分离

Corrosion Science

IF8.5

2025-07-070

PRE

Screening Multicomponent Alloys Using Evidence Theory and High-Throughput DFT Calculations for C2-Selective eCO2RR

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-10-070

PRE

Bias-dependent surface stress by density functional theory combined with the effective screening medium method

密度泛函理论结合有效筛选介质方法的偏置相关表面应力

PHYSICAL REVIEW B

IF3.7

2024-10-040

PRE

Assessing Ni2(dobpdc) Anchoring for Mitigating Lithium Polysulfide Dissolution in Lithium-Sulfur Batteries

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-09-200

Predictive and prognostic factors of bone and brain metastases of metastatic colorectal cancer in the era of biomarker-driven therapy

ANNALS OF ONCOLOGY

IF65.4

2024-06-010

PRE

Structural changes in the lithium cobalt dioxide electrode: A combined approach with cluster expansion and Bayesian optimization

PHYSICAL REVIEW MATERIALS

IF3.4

2023-11-132

Electrocatalytic Mechanisms for an Oxygen Evolution Reaction at a Rhombohedral Boron Monosulfide Electrode/Alkaline Medium Interface

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2023-10-192

PRE

Computational design of nucleating agents of poly (methyl methacrylate) microcellular foams: savanna-like surface structures and their effects on foaming

聚甲基丙烯酸甲酯微孔泡沫成核剂的计算设计: 稀树草原状表面结构及其对发泡的影响

POLYMER ENGINEERING AND SCIENCE

IF3.2

2023-09-302

PRE

A Combined Reaction Path Search and Hybrid Solvation Method for the Systematic Exploration of Elementary Reactions at the Solid-Liquid Interface

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

IF4.6

2023-09-251

PRE

Boron monosulfide as an electrocatalyst for the oxygen evolution reaction

一硫化硼作为析氧反应的电催化剂

CHEMICAL ENGINEERING JOURNAL

IF13.2

2023-09-0112

OAAI

First-Principles Investigation of Charged Germagraphene as a Cathode Material for Dual-Carbon Batteries

CHEMSUSCHEM

IF6.6

2023-01-020

PRE

Theoretical Consideration of Side Reactions between the VS4 Electrode and Carbonate Solvents in Lithium-metal Polysulfide Batteries

锂金属多硫化物电池中VS4电极与碳酸酯溶剂之间副反应的理论考虑

ELECTROCHEMISTRY

IF1.7

2022-10-202

Development of a dielectrically consistent reference interaction site model combined with the density functional theory for electrochemical interface simulations

结合密度泛函理论开发介电一致的参考相互作用位点模型用于电化学界面模拟

PHYSICAL REVIEW MATERIALS

IF3.4

2022-09-198

PRE

Theoretical Analysis on the Stability of 1-Pyrenebutanoic Acid Succinimidyl Ester Adsorbed on Graphene

ACS OMEGA

IF4.3

2022-08-256

OAAI

Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory

PHYSICAL REVIEW MATERIALS

IF3.4

2022-02-283

PRE

Minoru Otani

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