国家/地区 China（13）
关键词 FIRST PRINCIPLE（16）
出版物 APPLIED SURFACE SCIENCE（16）
出版时间 2015（3） 2023（3） 2011（2） 2022（2）
机构 SICHUAN UNIV（2）
作者 LIU J（4） CEN WL（2） YIN HQ（2） ZHANG HJ（2）

Adsorption of SO2 molecule on Ni-doped and Pd-doped graphene based on first-principle study

APPLIED SURFACE SCIENCE

GAO X, ZHOU Q, WANG JX, XU LN, ZENG W

Redistribution of pi and sigma electrons in boron-doped graphene from DFT investigation

APPLIED SURFACE SCIENCE

LIU J, LIANG TX, TU R, LAI WS, LIU YJ

Enhanced photocatalytic performance of KNbO3(100)/reduced graphene oxide nanocomposites investigated using first-principles calculations: RGO reductivity effect

APPLIED SURFACE SCIENCE

ZHANG P, SHEN YQ, WU WJ, LI J, ZHOU ZX

Study on structural, electronic and magnetic properties of Sn atom adsorbed on defective graphene by first-principle calculations

APPLIED SURFACE SCIENCE

SUN ML, PENG YT

Lithium and antimony adsorbed on graphene studied by first-principles calculations

APPLIED SURFACE SCIENCE

AKTURK OU, TOMAK M

Energy gap modulation of graphene nanoribbons by F termination

APPLIED SURFACE SCIENCE

LU DB, SONG YL, YANG ZX, LI GQ

Adsorption of gas molecules on graphene-like InN monolayer: A first-principle study

APPLIED SURFACE SCIENCE

SUN X, YANG Q, MENG RS, TAN CJ, LIANG QH, JIANG JK, YE HY, CHEN XP

Adsorption and oxidation of NO on graphene oxides: A dispersion corrected density functional theory investigation

APPLIED SURFACE SCIENCE

HOU ML, CEN WL, ZHANG HJ, LIU J, YIN HQ, WEI FS

First-principle study of structural, electronic, vibrational and magnetic properties of HCN adsorbed graphene doped with Cr, Mn and Fe

APPLIED SURFACE SCIENCE

SHI LB, WANG YP, DONG HK

Adsorption and oxidation of SO2 by graphene oxides: A van der Waals density functional theory study

APPLIED SURFACE SCIENCE

ZHANG HJ, CEN WL, LIU J, GUO JX, YIN HQ, NING P