Adsorption of CO2 and O-2 on SiC nanosheet: Density functional theory study
Journal
Chemical Physics Letters
Journal Volume
635
Pages
23-28
Date Issued
2015
Author(s)
Abstract
The adsorption properties of CO2 and O2 on SiC nanosheets were fully investigated using the density functional theory method. CO2 molecule always acted as an acceptor regardless the existence of pre-adsorbed O2 on SiC nanosheet surface and attracted electrons from its surface. Theoretical results implied that SiC nanosheet was a good adsorbent of CO2 molecule. Pre-adsorbed O2 attracted electrons from SiC nanosheet and resulted in less electrons transferred to CO2 molecule from SiC nanosheet.
Type
journal article