国家/地区 China（27）
关键词 DFT（27）
出版物 MOLECULAR CATALYSIS（4） DIAMOND RELATED MAT.（3） APPLIED SURFACE SCI.（2）
MATERIALS TODAY COM.（2）
出版时间 2022（27）
机构
作者 CHEN XP（3） HUANG X（3） LI Y（3） BI L（2）
GE Y（2） GUI YG（2） LI K（2） LIU ZY（2）
MIAO ZC（2） WANG F（2） WANG YH（2） YANG ZH（2）

Li-decorated borophene-graphene heterostructure under gas adsorption

JOURNAL OF PHYSICS CHEMISTRY OF SOLIDS

WANG CB, LU Q, ZHANG LL, XU TT, GONG WJ

Promotion effect of Au single-atom support graphene for CO oxidation

CHINESE CHEMICAL LETTERS

YAN P, SHU S, SHI X, LI JJ

First-principles study of the adsorption of flavonoids on graphene oxide

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

ZHAO ML, ZHANG YJ, QIN WL, GUO JL

FeS2 Nanoparticle/Graphene Composites for Lithium-Ion Storage with Enhanced Anode Performances

ACS APPLIED NANO MATERIALS

LI TJ, DONG HY, SHI ZP, LIU WF, YUE HY, YIN YH, LI XN, WU XL, LI BJ, YANG ST

Conversion of Methane to Methanol on Cobalt-Embedded Graphene: A Theoretical Perspective

CATALYSIS LETTERS

WANG SM, XIN Y, ZHANG WH, WANG LB

Hydrogen storage properties of Li-, Sc-, Ti-decorated psi-graphene: A DFT study

INTERNATIONAL JOURNAL OF MODERN PHYSICS B

NIE MJ, GE Y, LIU ZY, MIAO ZC, ZOU JY, DING JY, YANG ZH, SU HZ, YAN G, WANG YH, BI L

Density functional theory study on hydrogen storage capacity of metal-embedded penta-octa-graphene

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

BI L, MIAO ZC, GE Y, LIU ZY, XU Y, YIN J, HUANG X, WANG YH, YANG ZH

A theoretical study on molybdenum and sulfur co-doped graphene for electrocatalytic nitrogen reduction

MOLECULAR CATALYSIS

QIN YY, ZHANG SS, GAO GX, DING SJ, SU YQ

DFT study of common anions adsorption at graphene surface due to anion-pi interaction

JOURNAL OF MOLECULAR MODELING

FAN XZ, LIU X, HE ZL, ZHU KY, SHI GS

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