国家/地区 China（4） Iran（2） Usa（2）
关键词 DENSITY FUNCTIONAL .（4） GRAPHENE（4） MOLECULAR DYNAMICS .（3）
出版物 JOURNAL OF MOLECULAR MODELING（12）
出版时间 2018（12）
机构
作者

The spin filtering effect and negative differential behavior of the graphene-pentalene-graphene molecular junction: a theoretical analysis

JOURNAL OF MOLECULAR MODELING

BHATTACHARYA B, MONDAL R, SARKAR U

Changes to the dissociation barrier of H-2 due to buckling induced by a chemisorbed hydrogen on a doped graphene surface

JOURNAL OF MOLECULAR MODELING

HERNANDEZHERNANDEZ A, VALLEJO E, MARTINEZFARIAS F, PELAYO JJ, HERNANDEZHERNANDEZ LA, PESCADORROJAS JA, TAMAYORIVERA L, MORALESPENALOZA A, LOPEZPEREZ PA, CORTES ER

Influence of electric fields on the efficiency of multilayer graphene membrane

JOURNAL OF MOLECULAR MODELING

KARGAR M, VARNAMKHASTI FK, LOHRASEBI A

Computational study of the NO, SO2, and NH3 adsorptions on fragments of 3N-graphene and Al/3N graphene

JOURNAL OF MOLECULAR MODELING

SONG YD, WANG L, WANG QT

Molecular dynamics simulation of the folding of single alkane chains with different lengths on single-walled carbon nanotubes and graphene

JOURNAL OF MOLECULAR MODELING

LIU YF, YANG H, ZHANG H

Insight into hydrogen bonds and characterization of interlayer spacing of hydrated graphene oxide

JOURNAL OF MOLECULAR MODELING

LIU LY, ZHANG RF, LIU Y, TAN W, ZHU GR

Conformation of graphene folding around single-walled carbon nanotubes

JOURNAL OF MOLECULAR MODELING

DYER T, THAMWATTANA N, COX B

The effect of Stone-Wales defects and roughness degree on the lubricity of graphene on gold surfaces

JOURNAL OF MOLECULAR MODELING

EBRAHIMI S

Influence of defect locations and nitrogen doping configurations on the mechanical properties of armchair graphene nanoribbons

JOURNAL OF MOLECULAR MODELING

SENTURK AE, OKTEM AS, KONUKMAN AES

Computational investigation of double nitrogen doping on graphene

JOURNAL OF MOLECULAR MODELING

HERATH D, DINADAYALANE T