国家/地区 China（6）
关键词 GRAPHENE（6） ELECTRONIC STRUCTUR.（3） DENSITY FUNCTIONAL .（2）
FIRSTPRINCIPLES CAL.（2）
出版物 MATERIALS（2）
出版时间 2022（4） 2023（2）
机构
作者 LAI ZH（6）

Accelerating Density Functional Calculation of Adatom Adsorption on Graphene via Machine Learning

MATERIALS

QU N, CHEN M, LIAO MQ, CHENG Y, LAI ZH, ZHOU F, ZHU JC, LIU Y, ZHANG L

Electronic structure and optical properties of non-metallic modified graphene: a first-principles study

COMMUNICATIONS IN THEORETICAL PHYSICS

HUANG JT, LIU Y, LAI ZH, HU J, ZHOU F, ZHU JC

Effect of Temperatures and Graphene on the Mechanical Properties of the Aluminum Matrix: A Molecular Dynamics Study

MATERIALS

HUANG JT, LI MW, CHEN JY, CHENG Y, LAI ZH, HU J, ZHOU F, QU N, LIU Y, ZHU JC

Adsorption behaviour of Al atoms on the surface of perfect and defective graphene: a first principle study

MOLECULAR PHYSICS

HUANG JT, LIU Y, CHEN JY, LAI ZH, HU J, ZHOU F, LI MW, ZHU JC

A systematic study of interface properties and fracture behavior of graphene/aluminum: Insights from a first-principles study

VACUUM

HUANG JT, LIU Y, LAI ZH, HU J, ZHOU F, ZHU JC

Electronic Structure and Adsorption Behavior of Non-Metallic Atoms and Aluminum Atoms on the Surface of Graphene: DFT Theoretical Calculation

JOURNAL OF COMPUTATIONAL BIOPHYSICS CHEMISTRY

HUANG JT, LIU Y, CHEN JY, LAI ZH, HU J, ZHOU F, LI MW, ZHU JC