Rare Gas Adsorption to Silver-Exchanged Zeolites. (22nd October 2015)

• Record Type: Journal Article
• Authors: Wang, Qian; Wen, Shulong; Hao, Fanhua; Huang, Zheng; Peng, Shuming
• Other Names: Durajski Artur P. Academic Editor.
• Is Part Of: Advances in condensed matter physics. Volume 2015(2015)
• Publication Date: 2015-10-22
• Subjects: Condensed matter -- Periodicals; Condensed matter; Periodicals; 530.41
• DOI: 10.1155/2015/342525
• Languages: English
• ISSNs: 1687-8124

Abstract

Abstract : The adsorption of rare gas atoms to silver aluminosilicate has been investigated using density functional theory (DFT) with the local density approximation, generalized gradient approximation, and dispersion correction. The adsorption energies of rare gas atoms to the honeycomb lattice of silver aluminosilicate were calculated, and the results are discussed. The relationship between the electric charge density distribution and the adsorption energy is discussed. It indicates that the xenon atom has the most electrons to affect the van der Waals dispersion, so it has the highest minimum charge density, strongest polarization, most spacious spherical scope, and most favorable adsorption on silver zeolites.