The Geometries, Stabilities and Electronic Property of Cationic Vanadium Doped Germanium Cluster GenV+ (n=9-13) from Density Functional Theory

• Main Authors: Nguyen, Huu Tho, Trang, Thanh Tu
• 格式: Article
• 語言: English
• 出版: H. : ĐHQGHN 2020
• 主題: BP86/LANL2DZ; Binding energy; V-Ge clusters; Structure of clusters
• 在線閱讀: http://repository.vnu.edu.vn/handle/VNU_123/68393; https://doi.org/10.25073/2588-1140/vnunst.4946

Geometries associated relative stabilities, averaged binding energy, fragmentation energy, second-order energy difference and energy gaps of V-doped germanium cationic clusters GenV+ (n = 9-13) have been investigated by using density functional theory with the BP86 exchange-correlation potential and...