采用优化的DFTB参数对铜(111)表面碳二聚化的分子动力学研究
殷迪,邱宗仰,李湃,李震宇
A Molecular Dynamics Study of Carbon Dimerization on Cu(111) Surface with Optimized DFTB Parameters
Di YIN,Zongyang QIU,Pai LI,Zhenyu LI
物理化学学报 . 2018, (10): 1116 -1123 .  DOI: 10.3866/PKU.WHXB201801151