Harald Oberhofer

University of Bayreuth

H指数:32

被引数:4,331

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有机库仑玻璃中的相关电荷传输

Advanced Materials

IF26.8

2026-03-220

OAAI

Modelling Thermal Halide Exchange of Perovskite Powders With and Without BMIMBF4 From an Interdiffusion Perspective

从互扩散角度模拟含与不含BMIMBF4的钙钛矿粉末的热卤化物交换

Advanced Functional Materials

IF19

2025-08-080

OAAI

Identifying pitfalls when using the Miller–Abrahams rate in kinetic Monte Carlo simulations

在使用Miller–Abrahams速率进行动力学蒙特卡罗模拟时识别陷阱

j mater chem a

IF0

2025-07-270

Exploring Dipolar Dynamics and Ionic Transport in Metal-Organic Frameworks: Experimental and Theoretical Insights

探索金属有机框架中的偶极动力学和离子传输: 实验和理论见解

ADVANCED FUNCTIONAL MATERIALS

IF19

2024-11-070

OAAI

Designing building blocks of covalent organic frameworks through on-the-fly batch-based Bayesian optimization

通过基于批处理的贝叶斯优化设计共价有机框架的构建块

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-08-151

PRE

Adapting Explainable Machine Learning to Study Mechanical Properties of 2D Hybrid Halide Perovskites

调整可解释的机器学习以研究2D混合卤化物钙钛矿的机械性能

ADVANCED FUNCTIONAL MATERIALS

IF19

2024-08-131

OAAI

Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns-Anderson chemisorption function

用收敛的第一原理newns-anderson化学吸附函数解释表面的超快电子转移

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-06-153

Machine Learning Enabled Image Analysis of Time-Temperature Sensing Colloidal Arrays

基于机器学习的时间-温度传感胶体阵列图像分析

ADVANCED SCIENCE

IF14.1

2023-01-2010

OAAI

Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface (vol 24, pg 4796, 2022)

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2023-01-010

Combining Theory and Experiments To Study the Influence of Gas Sorption on the Conductivity Properties of Metal-Organic Frameworks

理论与实验相结合研究气体吸附对金属有机骨架材料导电性能的影响

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2022-07-180

PRE

Interfacial Charge Transfer Influences Thin-Film Polymorphism

界面电荷转移影响薄膜多态性

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-02-011

OAAI

Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface

光电子角分布作为液-气界面表面活性剂层结构的敏感探针

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2022-01-0114

OAAI

Recent advances of multiphoton absorption in metal-organic frameworks

金属-有机骨架材料的多光子吸收研究进展

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2022-01-0116

PRE

Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes

任意形状分子溶质的分段多极展开隐式溶剂化

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-12-222

Implicit Solvation Methods for Catalysis at Electrified Interfaces

用于电化界面催化的隐式溶剂化方法

CHEMICAL REVIEWS

IF55.8

2021-12-20110

OAAI

Electronic property trends of single-component organic molecular crystals containing C, N, O, and H

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2021-09-012

PREAI

Polaron-Assisted Charge Transport in Li-Ion Battery Anode Materials

锂离子电池负极材料中极化子辅助的电荷传输

ACS APPLIED ENERGY MATERIALS

IF5.5

2021-08-049

PRE

Active discovery of organic semiconductors

有机半导体的积极发现

NATURE COMMUNICATIONS

IF15.7

2021-04-2384

OAAI

Improved Projection-Operator Diabatization Schemes for the Calculation of Electronic Coupling Values

用于计算电子耦合值的改进的投影-算子二化方案

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-11-1015

PREAI

Formation and stability of small polarons at the lithium-terminated Li4Ti5O12 (LTO) (111) surface

锂封端的Li4Ti5O12 (LTO) (111) 表面小极化子的形成和稳定性

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-10-086

PREAI

Harald Oberhofer

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