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Ji-Jun Gong

Lanzhou University of Technology

H指数:16

被引数:927

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Theoretical Study on the Central Fused-Ring Modification of Nonfullerene Acceptors for Organic Solar Cells

有机太阳能电池中非富勒烯受体的中心稠环修饰的理论研究

The Journal of Physical Chemistry A

IF2.8

2026-04-280

PRE

Effect of Sc decoration and N-doping on the hydrogen storage capacity of 2D Irida-graphene monolayer: First-principles investigation

Sc装饰和N掺杂对2D Irida-graphene单层氢存储容量的影响：第一性原理研究

Applied Surface Science

IF6.9

2025-10-080

PRE

High-Throughput Molecular Design of Donors and Non-Fullerene Acceptors for Organic Solar Cells Based on Convolutional Neural Networks

基于卷积神经网络的有机太阳能电池供体和非富勒烯受体的高通量分子设计

Journal of Chemical Information and Modeling

IF5.3

2025-09-160

PRE

High throughput molecular design of electron donors and non-fullerene acceptors using machine learning combined with substructure importance

利用机器学习结合亚结构重要性进行电子给体和非富勒烯受体的高通量分子设计

IF0

2025-07-270

PRE

The electronic structures and hydrogen adsorption properties of a new graphene-like AlNC2 monolayer: First-principles calculations

新型类石墨烯AlNC2单层的电子结构和氢吸附性质: 第一性原理计算

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2024-03-015

PRE

Design and virtual screening of donor and non-fullerene acceptor for organic solar cells using long short-term memory model

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2024-01-011

PRE

Vacancy defects on optoelectronic properties of double perovskite Cs2AgBiBr6

空位缺陷对双钙钛矿Cs2AgBiBr6光电性能的影响

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

IF4.6

2021-03-0139

PREAI

Interactions of charged domain walls and oxygen vacancies in BaTiO3: a first-principles study

MATERIALS TODAY PHYSICS

IF9.7

2018-08-0123

PREAI

Structural transitions in hybrid improper ferroelectric Ca3Ti2O7 tuned by site-selective isovalent substitutions: A first-principles study

PHYSICAL REVIEW B

IF3.7

2018-05-2322

OAAI

Hydrogen storage capacity on Ti-decorated porous graphene: First-principles investigation

APPLIED SURFACE SCIENCE

IF6.9

2018-03-0195

PREAI

Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

SCIENTIFIC REPORTS

IF3.9

2016-03-07116

OAAI

Predicting high thermoelectric performance of ABX ternary compounds NaMgX (X = P, Sb, As) with weak electron-phonon coupling and strong bonding anharmonicity

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2016-01-0146

PREAI

The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

碱土金属掺杂锐钛矿TiO2的电子结构和光学性质: 筛选的混合功能和广义梯度近似的比较研究

IF3.2

2015-08-2425

OAAI

The adsorption of α-cyanoacrylic acid on anatase TiO2 (101) and (001) surfaces: A density functional theory study

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-12-1628

PREAI

Significant enhancements of dielectric and magnetic properties in Bi(Fe1-xMgx)O3-x/2 induced by oxygen vacancies

JOURNAL OF PHYSICS D-APPLIED PHYSICS

IF3.2

2013-03-0737

PREAI