国家/地区 Usa（4） Belgium（2） Brazil（2） China（2）
Netherlands（2） Spain（2）
关键词 DENSITY FUNCTIONAL THEORY（20）
出版物 PHYSICAL REVIEW B（20）
出版时间 2009（17） 2008（3）
机构 SANDIA NATL .（2） UNIV TWENTE（2）
作者 BROCKS G（2） FEIBELMAN PJ（2） GIOVANNETTI .（2） KELLY PJ（2）
KHOMYAKOV PA（2） VAN DEN BRIN.（2）

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

Graphene growth by metal etching on Ru(0001)

PHYSICAL REVIEW B

STARODUB E, MAIER S, STASS I, BARTELT NC, FEIBELMAN PJ, SALMERON M, MCCARTY KF

Emergence of local magnetic moments in doped graphene-related materials

PHYSICAL REVIEW B

VENEZUELA P, MUNIZ RB, COSTA AT, EDWARDS DM, POWER SR, FERREIRA MS

AunPtn clusters adsorbed on graphene studied by first-principles calculations

PHYSICAL REVIEW B

AKTURK OU, TOMAK M

Onset of three-dimensional Ir islands on a graphene/Ir(111) template

PHYSICAL REVIEW B

FEIBELMAN PJ

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

PHYSICAL REVIEW B

GUO YF, GUO WL, CHEN CF

Density functional theory study of Fe, Co, and Ni adatoms and dimers adsorbed on graphene

PHYSICAL REVIEW B

JOHLL H, KANG HC, TOK ES

I-V curve signatures of nonequilibrium-driven band gap collapse in magnetically ordered zigzag graphene nanoribbon two-terminal devices

PHYSICAL REVIEW B

ARESHKIN DA, NIKOLIC BK

Electronic structure and electron-phonon coupling of doped graphene layers in KC8

PHYSICAL REVIEW B

GRUNEIS A, ATTACCALITE C, RUBIO A, VYALIKH DV, MOLODTSOV SL, FINK J, FOLLATH R, EBERHARDT W, BUCHNER B, PICHLER T