国家/地区 Usa（5） China（2） India（2）
关键词 DFT（14）
出版物 ACS NANO（2） JOURNAL OF MOLECULA.（2） NANO LETTERS（2）
出版时间 2012（14）
机构
作者

On the performance of local density approximation in describing the adsorption of electron donating/accepting molecules on graphene

CHEMICAL PHYSICS

WANG YX, XU ZF, MOE YN

Atomistic Description of Electron Beam Damage in Nitrogen-Doped Graphene and Single-Walled Carbon Nanotubes

ACS NANO

SUSI T, KOTAKOSKI J, ARENAL R, KURASCH S, JIANG H, SKAKALOVA V, STEPHAN O, KRASHENINNIKOV AV, KAUPPINEN EI, KAISER U, MEYER JC

CO oxidation over graphene supported palladium catalyst

APPLIED CATALYSIS BENVIRONMENTAL

LI YZ, YU Y, WANG JG, SONG J, LI Q, DONG MD, LIU CJ

DESIGNING TUNABLE ELECTRONIC AND MAGNETIC PROPERTIES OF GRAPHENE: A THEORETICAL PERSPECTIVE

INTERNATIONAL JOURNAL OF MODERN PHYSICS B

MANNA AK, PATI SK

Dissociative adsorption of H-2 molecules on steric graphene surface: Ab initio MD study based on DFT

COMPUTATIONAL THEORETICAL CHEMISTRY

DOI K, ONISHI I, KAWANO S

Width Dependent Electronic Properties of Graphene Nanoribbons: An Ab-Initio Study

JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE

SRIVASTAVA A, JAIN A, KURCHANIA R, TYAGI N

Chemical functionalization of graphene via aryne cycloaddition: a theoretical study

JOURNAL OF MOLECULAR MODELING

ZHAO JX, WANG HX, GAO B, WANG XG, CAI QH, WANG XZ

Direct Imaging of Atomic-Scale Ripples in Few-Layer Graphene

NANO LETTERS

WANG WL, BHANDARI S, YI W, BELL DC, WESTERVELT R, KAXIRAS E

Hydrogen adsorption on palladium dimer decorated graphene: A bonding study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

LOPEZCORRAL I, GERMAN E, JUAN A, VOLPE MA, BRIZUELA GP

Nickel Carbide as a Source of Grain Rotation in Epitaxial Graphene

ACS NANO

JACOBSON P, STOGER B, GARHOFER A, PARKINSON GS, SCHMID M, CAUDILLO R, MITTENDORFER F, REDINGER J, DIEBOLD U