Transport Properties of Ag Decorated Zigzag Graphene Nanoribbons as a Function of Temperature: A Density Functional Based Tight Binding Molecular Dynamics Study

• 主要作者: Mananghaya, Michael Rivera
• 格式: text
• 出版: Archīum Ateneo 2019
• 主題: Binding energy; Density functional theory tight binding; Graphene nanoribbon; Transition metals; Physics
• 在線閱讀: https://archium.ateneo.edu/physics-faculty-pubs/111; https://link.springer.com/article/10.1007/s10450-019-00166-7
• 機構: Ateneo De Manila University

The systemic study of the electronic transport (ET) properties of transition metal (TM) functionalized graphene was done with the aid of self-consistent charge density functional based tight binding (DFTB) method. Results show that among the TM considered, Silver metal adsorbed in the surface of gra...