国家/地区
关键词 DENSITY FUNCTIONAL THEORY（2）
出版物 COMPUTATIONAL THEORETICAL CHEMISTRY（2）
出版时间 2022（2）
机构
作者

Optimal model of semi-infinite graphene for ab initio calculations of reactions at graphene edges by the example of zigzag edge reconstruction

COMPUTATIONAL THEORETICAL CHEMISTRY

POLYNSKAYA YG, LEBEDEVA IV, KNIZHNIK AA, POPOV AM

Theoretical investigation on the Ni atom-pair supported by N-doped graphene for the oxygen reduction reaction

COMPUTATIONAL THEORETICAL CHEMISTRY

ZHANG J, LI SC