Konstantinos Alexopoulos

pennsylvania commonwealth system of higher education

H指数:27

被引数:2,099

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Redox-dependent mobility of small silver clusters on TiO2 via machine learning-assisted first-principles kinetic Monte Carlo

通过机器学习辅助的第一性原理动力学蒙特卡洛方法研究TiO2上小银簇的氧化还原依赖性迁移率

Molecular Catalysis

IF4.9

2026-05-010

PRE

Electronic Descriptors Governing Binding Energies of Bidentate Aromatic Ligands with Metal Cations: Insights from DFT and Statistical Analysis

双齿芳香配体与金属阳离子结合能的电子描述符：来自DFT和统计分析的见解

Journal of Physical Chemistry A

IF2.8

2026-03-010

Immersion Freezing Efficiency of ZnAl2O4 and MgAl2O4 Spinels, ZnO, and MgO: The Role of Oxygen Vacancies

尖晶石ZnAl2O4和MgAl2O4、ZnO和MgO的浸没冻结效率：氧空位的作用

Journal of Physical Chemistry A

IF2.8

2026-02-010

A Multisite Microkinetic Framework for Describing Interfacial Kinetics in Dry Methane Reforming (DRM) over Ni-CeO2 Catalysts

ACS CATALYSIS

IF13.1

2026-01-010

PRE

Oxygen Vacancy and Adsorbed Hydride Formation on Metal-Substituted Anatase TiO2 and Generalization Across Doped Metal Oxide Surfaces

氧空位和吸附氢化物在金属取代的锐钛矿型TiO2上的形成及其在掺杂金属氧化物表面的普适性

Energy & Fuels

IF5.3

2025-10-240

PRE

Hydride-mediated chemoselective C-H bond formation during benzoic acid hydrodeoxygenation on anatase TiO2

REACTION CHEMISTRY & ENGINEERING

IF3.1

2025-03-010

Improved Selectivity and Stability in Methane Dry Reforming by Atomic Layer Deposition on Ni-CeO2-ZrO2/Al2O3 Catalysts

ACS CATALYSIS

IF13.1

2024-05-300

OAAI

Predicting the effect of framework and hydrocarbon structure on the zeolite-catalyzed beta-scission

CATALYSIS SCIENCE & TECHNOLOGY

IF4.2

2024-01-010

OAAI

Identifying the Local Atomic Environment of the Cu 3+ State in Alkaline Electrochemical Systems

识别碱性电化学系统中Cu 3态的局部原子环境

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2023-05-316

PRE

Hydrogen Activation and Spillover on Anatase TiO2-Supported Ag Single-Atom Catalysts

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-04-2522

PRE

Ethylene production by direct conversion of methane over isolated single active centers

CHEMICAL ENGINEERING JOURNAL

IF13.2

2021-09-0126

OAAI

Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics

NPJ COMPUTATIONAL MATERIALS

IF11.9

2020-09-2467

OAAI

Ethanol dehydration pathways in H-ZSM-5: Insights from temporal analysis of products

CATALYSIS TODAY

IF5.3

2020-09-0126

PREAI

Surface chemistry dictates stability and oxidation state of supported single metal catalyst atoms

CHEMICAL SCIENCE

IF7.4

2020-01-0118

OAAI

First-Principles-Based Simulation of an Industrial Ethanol Dehydration Reactor

CATALYSTS

IF4

2019-11-055

OAAI

Molybdenum Oxide-Modified Iridium Catalysts for Selective Production of Renewable Oils for Jet and Diesel Fuels and Lubricants

ACS CATALYSIS

IF13.1

2019-07-1657

PREAI

First-Principles Kinetic and Spectroscopic Insights into Single-Atom Catalysis

ACS CATALYSIS

IF13.1

2019-04-2438

OAAI

Theoretical Approach To Predict the Stability of Supported Single-Atom Catalysts

预测负载型单原子催化剂稳定性的理论方法

ACS CATALYSIS

IF13.1

2019-03-05107

OAAI

Mechanistic insights into the formation of butene isomers from 1-butanol in H-ZSM-5: DFT based microkinetic modelling

CATALYSIS SCIENCE & TECHNOLOGY

IF4.2

2017-01-0141

PREAI

Effect of zeolite confinement on the conversion of 1-butanol to butene isomers: mechanistic insights from DFT based microkinetic modelling

CATALYSIS SCIENCE & TECHNOLOGY

IF4.2

2017-01-0134

PREAI

Konstantinos Alexopoulos

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