国家/地区 Russia（2）
关键词
出版物
出版时间 2022（2）
机构
作者 POPOV AM（2）

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

Reconstruction of Zigzag Graphene Edges: Energetics, Kinetics, and Residual Defects

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

POLYNSKAYA YG, LEBEDEVA IV, KNIZHNIK AA, POPOV AM