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T

Takashi Ikeda

Tokyo Institute of Technology

H指数:35

被引数:4,846

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Ar-irradiation effects on graphite thin film revealed from first-principles based simulations

基于第一性原理模拟揭示的Ar-irradiation对石墨薄膜的影响

Solid State Sciences

IF3.3

2025-11-190

PRE

Ferrocenyl-Benzothienobenzothiophene (BTBT) Conjugate: Synthesis, Crystal Structure, Redox Behavior, and Intramolecular Charge Transfer Properties of One-Electron-Oxidized Species

二茂铁基-苯并噻二唑并苯并噻吩 (BTBT) 共轭物：单电子氧化物种的合成、晶体结构、氧化还原行为及分子内电荷转移性质

ORGANOMETALLICS

IF2.9

2025-03-280

PRE

Weakened Oxygen Adsorbing the Pt-O Bond of the Pt Catalyst Induced by Vacancy Introduction into Carbon Support

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-12-011

PRE

Immobilizing a π-Conjugated Catecholato Framework on Surfaces of SiO2 Insulator Films via a One-Atom Anchor of a Platinum Metal Center to Modulate Organic Transistor Performance

INORGANIC CHEMISTRY

IF4.7

2020-11-104

PREAI

Ferrocene on Insulator: Silane Coupling to a SiO2 Surface and Influence on Electrical Transport at a Buried Interface with an Organic Semiconductor Layer

IF3.9

2020-05-1413

PREAI

First principles centroid molecular dynamics simulation of high pressure ices

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-01-039

PREAI

First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki-Miyaura Cross-Coupling in Water: Transmetalation and Reductive Elimination

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-09-059

PREAI

Two-Electron Oxygen Reduction on Carbon Materials Catalysts: Mechanisms and Active Sites

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-07-05104

PREAI

First principles centroid molecular dynamics simulation of hydride in nanoporous C12A7:H-

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-05-311

OA

First-principles-based simulation of interlayer water and alkali metal ions in weathered biotite

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-09-238

PREAI

Role of van der Waals corrections in first principles simulations of alkali metal ions in aqueous solutions

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-11-1931

OAAI

Active Sites and Mechanisms for Oxygen Reduction Reaction on Nitrogen-Doped Carbon Alloy Catalysts: Stone-Wales Defect and Curvature Effect

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2014-09-23277

PREAI

Interplay between Oxidized Monovacancy and Nitrogen Doping in Graphene

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2014-08-1313

PREAI

Infrared absorption and Raman scattering spectra of water under pressure via first principles molecular dynamics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-07-2318

PREAI

Possible Oxygen Reduction Reactions for Graphene Edges from First Principles

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2014-07-1653

OAAI

NMR Chemical Shifts of 15N-Bearing Graphene

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2014-06-1214

PREAI

Electronic structure of N-doped graphene with native point defects

PHYSICAL REVIEW B

IF3.7

2013-04-01118

OA

Probing carbon edge exposure of iron phthalocyanine-based oxygen reduction catalysts by soft X-ray absorption spectroscopy

JOURNAL OF POWER SOURCES

IF7.9

2013-02-0120

PREAI

Study on the oxygen adsorption property of nitrogen-containing metal-free carbon-based cathode catalysts for oxygen reduction reaction

ELECTROCHIMICA ACTA

IF5.6

2012-11-0114

PRE

Communication: Hydration structure and polarization of heavy alkali ions: A first principles molecular dynamics study of Rb+ and Cs+

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-07-3134

OAAI