国家/地区 China（6）
关键词 DFT（2） GRAPHENE（2）
出版物 JOURNAL OF MOLECULAR MODELING（6）
出版时间 2019（6）
机构 KUNMING UNIV.（3）
作者 NING P（3） SUN X（3） LI K（2） LI Y（2）
SONG X（2）

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 study on simultaneous removal of SO2, NO, and Hg-0 over graphene: competitive adsorption and adsorption type change

JOURNAL OF MOLECULAR MODELING

ZHAO XM, LI K, NING P, WANG C, SUN X, MA YX, SONG X, JIA LJ, HAO XG

Defect-driven rotating system based on a double-walled carbon nanotube and graphene

JOURNAL OF MOLECULAR MODELING

LIN XT, HAN Q

MD simulation of methane adsorption properties on pillared graphene bubble models

JOURNAL OF MOLECULAR MODELING

JIANG H, CHENG XL

The effect of GGA functionals on the oxygen reduction reaction catalyzed by Pt(111) and FeN4 doped graphene

JOURNAL OF MOLECULAR MODELING

CHEN X, GE F, CHEN TT, LAI NJ

Density functional theory analysis of selective adsorption of AsH3 on transition metal-doped graphene

JOURNAL OF MOLECULAR MODELING

LI Y, SUN X, ZHOU LL, NING P, TANG LH