国家/地区 Iran（4） China（2） Turkey（2）
关键词 MOLECULAR DYNAMIC（3） ADSORPTION（2） DFT（2）
GRAPHENE（2） GRAPHENE NANOFLAKE（2）
出版物 JOURNAL OF MOLECULAR MODELING（13）
出版时间 2017（13）
机构 ISLAMIC AZAD.（2）
作者

TCNE-modified graphene as an adsorbent for N2O molecule: a DFT study

JOURNAL OF MOLECULAR MODELING

RASTEGAR SF, OSOULEDDINI N

A DFT study on graphene, SiC, BN, and AlN nanosheets as anodes in Na-ion batteries

JOURNAL OF MOLECULAR MODELING

HOSSEINIAN A, KHOSROSHAHI ES, NEJATI K, EDJLALI E, VESSALLY E

Effects of shape, size, and pyrene doping on electronic properties of graphene nanoflakes

JOURNAL OF MOLECULAR MODELING

KUAMIT T, RATANASAK M, RUNGNIM C, PARASUK V

Bond length pattern associated with charge carriers in armchair graphene nanoribbons

JOURNAL OF MOLECULAR MODELING

TEIXEIRA JF, NETO PHD, DA CUNHA WF, RIBEIRO LA, SILVA GME

Effects of the nitrogen doping configuration and site on the thermal conductivity of defective armchair graphene nanoribbons

JOURNAL OF MOLECULAR MODELING

SENTURK AE, OKTEM AS, KONUKMAN AES

Aromaticity of graphene nanoflakes in a new way: fragment analysis by combination of the nucleus-independent chemical shifts and the anisotropy of current induced density

JOURNAL OF MOLECULAR MODELING

LI Q, LI CM, XU HL, SU ZM

Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies

JOURNAL OF MOLECULAR MODELING

SUTAY B, YURTSEVER M

Electrochemical oxygen reduction mechanism on FeN2-graphene

JOURNAL OF MOLECULAR MODELING

ZHANG J, WANG YY, ZHU ZP, ZHANG MG

Adsorption of Mn atom on pristine and defected graphene: a density functional theory study

JOURNAL OF MOLECULAR MODELING

ANITHAA VS, SHANKAR R, VIJAYAKUMAR S

Molecular modeling of the piezoelectric properties of ferroelectric composites containing polyvinylidene fluoride (PVDF) and either graphene or graphene oxide

JOURNAL OF MOLECULAR MODELING

BYSTROV VS, BDIKIN IK, SILIBIN M, KARPINSKY D, KOPYL S, PARAMONOVA EV, GONCALVES G