国家/地区 China（5）
关键词
出版物 COMPUTATIONAL THEORETICAL CHEMISTRY（5）
出版时间 2022（5）
机构
作者

First-principles study of the structural and electronic properties of LiFePO4 by graphene and N-doped graphene modification

COMPUTATIONAL THEORETICAL CHEMISTRY

YAO C, WANG FZ, CHEN JL, YIN MX

Improvement of the performance of graphene/Al(111) interface with defect mode and doped mode

COMPUTATIONAL THEORETICAL CHEMISTRY

LI DB, GAO S, LI L, YANG P

Exploring the effect of layer spacing of graphene for lithium single-atom diffusion using first principles calculations

COMPUTATIONAL THEORETICAL CHEMISTRY

LI JR, YANG SB, ZHANG X, ZHANG CXY

Theoretical investigation on the Ni atom-pair supported by N-doped graphene for the oxygen reduction reaction

COMPUTATIONAL THEORETICAL CHEMISTRY

ZHANG J, LI SC

The simulation study of transport performance of HU drugs on functionalized graphene nanosheets based on the Density Functional Theory

COMPUTATIONAL THEORETICAL CHEMISTRY

QIN Y, WU XJ, ZHOU N, XU HT, TAN J, CHEN XK, PENG ZH, NIE CM