国家/地区 China（24）
关键词 GRAPHENE（9） DENSITY FUNCTIONAL .（6） FIRSTPRINCIPLES CAL.（4）
ADSORPTION（3） DFT（3） ELECTRONIC STRUCTUR.（3）
ANTICANCER DRUG（2） DRUG DELIVERY（2） GRAPHENE OXIDE（2）
INTERACTION（2） REACTION MECHANISM（2）
出版物 MOLECULAR PHYSICS（24）
出版时间 2020（8） 2022（6） 2016（3）
机构 SHANGHAI DIA.（3） ZHENGZHOU NO.（3） YUZHANG NORM.（2）
作者 CHEN WG（3） DAI XQ（3） YANG JW（3） YUAN YH（3）
LI Q（2） LIU Y（2） TANG YA（2） TENG D（2）
WAN HQ（2） ZHAO G（2） ZHOU GH（2）

The first-principles study of the adsorption of Cu-n (n=2-4) clusters on graphene doped with B

MOLECULAR PHYSICS

CHEN T, AN L, JIA X

Spin-resolved transport properties of atomic carbon chain between sawtooth zigzag-edge graphene nanoribbons electrodes

MOLECULAR PHYSICS

WAN HQ, XIAO XB, ZHOU GH, HU W

A sensitiveN-nitroso-N-methylurea sensor based on graphene-like BC3 and NC3 layers

MOLECULAR PHYSICS

LIAO Y, LIU ZX, LI Q

T-graphene and its boron nitride analogue as versatile drug delivery systems

MOLECULAR PHYSICS

JIA SQ, YUE SS, WEI X, WEI G

First principles investigation of the spin transport properties in graphene-porphine-graphene nanojunctions

MOLECULAR PHYSICS

LIU Y, ZHONG HC

Structurally improved reduced graphene oxide nanocluster structured assembly with Naringin for the effective photothermal therapy of colon tumour patients and nursing care management

MOLECULAR PHYSICS

HAN LW, TAN J, LI J, MENG TY, WANG YH, WANG SS

Structural, electronic and catalytic performance of single-atom Fe anchored 3Si-doped graphene

MOLECULAR PHYSICS

CHEN WG, TANG YA, ZHAO G, TENG D, CHAI HD, DAI XQ

First-principles study of potassium adsorption and diffusion on graphene

MOLECULAR PHYSICS

YANG JW, YUAN YH, CHEN GH

Theoretical study on the catalytic properties of single-atom catalyst stabilised on silicon-doped graphene sheets

MOLECULAR PHYSICS

CHEN WG, ZHAO G, WU BJ, TANG YA, TENG D, DAI XQ

Theoretical evaluation to improve the performance of composite wax powder: cooperativity effects involving the strong Na+center dot center dot center dot pi/sigma and weak hydrogen-bonding interactions in the complex of graphene oxide with Na+ and CH4

MOLECULAR PHYSICS

JIANG LT, BAI PK, REN FD, WANG JH, LIU B, LI YX