国家/地区 China（4） Brazil（3） Usa（3） France（2）
Turkey（2）
关键词 AB INITIO CALCULATION（21）
出版物 PHYSICAL REVIEW B（21）
出版时间 2009（19） 2008（2）
机构 BILKENT UNIV（2） UNIV SAO PAU.（2）
作者 FAZZIO A（3） CIRACI S（2） DA SILVA AJR（2） SEVINCLI H（2）
TOPSAKAL M（2）

Band-structure topologies of graphene: Spin-orbit coupling effects from first principles

PHYSICAL REVIEW B

GMITRA M, KONSCHUH S, ERTLER C, AMBROSCHDRAXL C, FABIAN J

First-principles calculation of the electronic properties of graphene clusters doped with nitrogen and boron: Analysis of catalytic activity for the oxygen reduction reaction

PHYSICAL REVIEW B

HUANG SF, TERAKURA K, OZAKI T, IKEDA T, BOERO M, OSHIMA M, OZAKI J, MIYATA S

Hydrogenation of bilayer graphene and the formation of bilayer graphane from first principles

PHYSICAL REVIEW B

LEENAERTS O, PARTOENS B, PEETERS FM

Electric-field control of magnetic states, charge transfer, and patterning of adatoms on graphene: First-principles density functional theory calculations

PHYSICAL REVIEW B

LU YH, SHI L, ZHANG C, FENG YP

Pulling long linear atomic chains from graphene: Molecular dynamics simulations

PHYSICAL REVIEW B

WANG Y, LIN ZZ, ZHANG WX, ZHUANG J, NING XJ

Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons

PHYSICAL REVIEW B

ZHENG XH, RUNGGER I, ZENG Z, SANVITO S

Bias voltage induced n- to p-type transition in epitaxial bilayer graphene on SiC

PHYSICAL REVIEW B

GUO YF, GUO WL, CHEN CF

Valence force model for phonons in graphene and carbon nanotubes

PHYSICAL REVIEW B

PEREBEINOS V, TERSOFF J

Ab initio study of gap opening and screening effects in gated bilayer graphene

PHYSICAL REVIEW B

GAVA P, LAZZERI M, SAITTA AM, MAURI F

Crossover between multipole Coulomb and Kubas interactions in hydrogen adsorption on metal-graphene complexes

PHYSICAL REVIEW B

KIM G, JHI SH, LIM S, PARK N