国家/地区 China（3）
关键词 GRAPHENE（3） DFT（2）
出版物 COMPUTATIONAL THEORETICAL CHEMISTRY（7）
出版时间 2021（7）
机构
作者

Graph entropies of porous graphene using topological indices

COMPUTATIONAL THEORETICAL CHEMISTRY

SHANMUKHA MC, USHA A, BASAVARAJAPPA NS, SHILPA KC

DFT study of Ni-doped graphene nanosheet as a drug carrier for multiple sclerosis drugs

COMPUTATIONAL THEORETICAL CHEMISTRY

DASTANI N, ARAB A, RAISSI H

Effect of noble metal atoms on adsorption and electronic properties of graphene toward toxic gas

COMPUTATIONAL THEORETICAL CHEMISTRY

QU YF, DING JJ, CHEN HX, PENG JH

Ab initio study of graphitic-N and pyridinic-N doped graphene for catalytic oxygen reduction reactions

COMPUTATIONAL THEORETICAL CHEMISTRY

WU H, SIT PHL

Electronic and optical properties of adsorbed of Zr-atom on vacancy-defective graphene: First principles calculations

COMPUTATIONAL THEORETICAL CHEMISTRY

MA GL, GU JB, SUN B, WANG CJ, LI S, ZHANG WW

Impact of oxygen adsorption on the electronic properties and contact type of a defective epitaxial graphene-SiC interface

COMPUTATIONAL THEORETICAL CHEMISTRY

HUELMO CP, DENIS PA

Tuning optical and electronic properties of graphene oxide by surface adsorption of molecular halogens (X-2 = I-2, Br-2, Cl-2, and F-2) for light harvesting

COMPUTATIONAL THEORETICAL CHEMISTRY

MERSAL AMG, YAHIA IS, ELSHESHTAWY SH