New Insights into Adsorption Behaviour of NH3 Molecules on Small (SiO2)n (n=2-7) Clusters Through Systematic Analysis of Structural and Topological Properties.
【作者单位】1 Department of Physics, Taiyuan Normal University, Taiyuan 030031, China 2 College of Physical Science and Technology, Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China 3 School of Physics and Electronic Engineering, ShanxiUniversity, Taiyuan 030006, China
【年份】2018
【卷号】Vol.71 No.7
【页码】482-491
【ISSN】0004-9425
【关键词】ADSORPTION *CHEMICAL stability
【摘要】 The adsorption of NH3 molecules on (SiO2)n (n=2-7) clusters was explored using various theoretical methods. The stable structures, interaction energies, and bonding properties for the various methods were evaluated in detail. Reactivity analysis and ...
