国家/地区 China（6）
关键词 DENSITY FUNCTIONAL .（2）
出版物 MOLECULAR PHYSICS（6）
出版时间 2022（6）
机构
作者

Adsorption of graphene oxide with cellulose acetate: insights from DFT

MOLECULAR PHYSICS

ZHANG HW, DING LY, ZHANG YM, WU T, LI Q

Density functional theory investigation of Cs, Co and Ag separation by functionalised graphene membrane

MOLECULAR PHYSICS

ZHOU N, QIN Y, LIU WG, WU XJ, CHENG JJ

Exploring the reduction reaction mechanism of CO2 on graphene-supported metal dimers using density functional theory

MOLECULAR PHYSICS

ZHOU JJ, SU XB, YU YS

Adsorption behaviour of Al atoms on the surface of perfect and defective graphene: a first principle study

MOLECULAR PHYSICS

HUANG JT, LIU Y, CHEN JY, LAI ZH, HU J, ZHOU F, LI MW, ZHU JC

DFT study on Fe and N decorated graphene as the drug delivery system for beta-lapachone anticancer drug

MOLECULAR PHYSICS

ZHANG W

Edge-oxidation induced non-radiative recombination dynamics in graphene quantum dots: a theoretical insight from Fermi's golden rule

MOLECULAR PHYSICS

CUI P, XUE Y