国家/地区 Spain（2）
关键词 DENSITY FUNCTIONAL THEORY（3）
出版物
出版时间 2018（3）
机构 UNIV AUTONOMA MADRID（3）
作者 PEREZ R（2） POU P（2） ROMEROMUNIZ .（2）

High-accuracy large-scale DFT calculations using localized orbitals in complex electronic systems: the case of graphene-metal interfaces

JOURNAL OF PHYSICSCONDENSED MATTER

ROMEROMUNIZ C, NAKATA A, POU P, BOWLER DR, MIYAZAKI T, PEREZ R

Exploring the catalytic efficiency of X-doped (X=B, N, P) graphene in oxygen reduction reaction: Influence of solvent and border effects

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

AGUILARGALINDO F, OCON P, POYATO JML

Combining nitrogen substitutional defects and oxygen intercalation to control the graphene corrugation and doping level

CARBON

MARTINRECIO A, ROMEROMUNIZ C, POU P, PEREZ R, GOMEZRODRIGUEZ JM