国家/地区 China（4）
关键词 DFT（4）
出版物
出版时间 2022（3）
机构
作者 LI Y（4）

DFT calculation of AsH3 adsorption and dissociation on Ni- and Cu-doped graphene

JOURNAL OF MOLECULAR MODELING

LI Y, LI K, SUN X, SONG X, SUN HY, NING P

Theoretical analysis of selective catalytic oxidation of H2S on Fe-N(3 )co-doped graphene

MOLECULAR CATALYSIS

LI Y, YANG YY, LI K, SUN X, WANG F, HAO YJ, NING P, WANG C

First-principles study of sodium adsorption and diffusion on vacancies, N, S, and NS-codoped graphene

MATERIALS TODAY COMMUNICATIONS

ZHANG HM, SONG Y, LIU Y, ZHAO JP, LI Y

Tetrahedral W-4 cluster confined in graphene-like C2N enables electrocatalytic nitrogen reduction from theoretical perspective

NANOTECHNOLOGY

ZHANG J, FANG C, LI Y, AN W