国家/地区 China（6）
关键词 AB INITIO MOLECULAR DYNAMIC（6）
出版物
出版时间 2021（3） 2022（2）
机构
作者 LIU NG（2） WANG DY（2）

Understanding the relationship between the geometrical structure of interfacial water and operating voltage window in graphene and nitrogen-doped graphene-based supercapacitors

CARBON

ZHANG YF, HUANG H, NING XW, LI CW, FAN Z, PAN LJ

Ab initio molecular dynamics study of adsorption of hydroxyl groups on graphene surface

CHINESE JOURNAL OF CHEMICAL PHYSICS

LIU HD, LIU NG, WANG DY, REN JF

Motion behavior of graphene sheets and friction characteristics between the interfaces of silicon-based materials

ACTA PHYSICA SINICA

LU HL, DUAN FL

Enhancement of CO adsorption energy on defective graphene-supported Cu13 cluster and prediction with an induction energy model

APPLIED SURFACE SCIENCE

GAO DL, RAO SY, LI YR, LIU NG, WANG DY

Insights into the adsorption/desorption of CO2 and CO on single-atom Fe-nitrogen-graphene catalyst under electrochemical environment

JOURNAL OF ENERGY CHEMISTRY

LI JJ, LIU J, YANG B

Catalytic Ability Comparison of Five Transition Metal Clusters (Zn, Cu, Fe, Ni, and Ru) for Heat-Induced Graphene Etching by Ab Initio Molecular Dynamics Simulations

ADVANCED THEORY SIMULATIONS

BIE J, WANG JL, CHEN S, FA W