DFT Study of Cs/Sr/Ag Adsorption on Defective Matrix Graphite

DFT Study of Cs/Sr/Ag Adsorption on Defective Matrix Graphite

The geometries, adsorption energies, and electronic structures of Cs, Sr, and Ag atoms on matrix graphite surface with point defects were calculated and analyzed using the density functional theory (DFT) and the Perdew–Burke–Ernzerhof (PBE) formulation of the generalized gradient approximation (GGA)...

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Bibliographic Details
Main Authors:	Zengtong Jiao, Xiaotong Chen, Chao Fang, Gang Xu, Chi Zhang, Luhao Fan, Bing Liu
Format:	Article
Language:	English
Published:	Hindawi Limited 2020-01-01
Series:	Science and Technology of Nuclear Installations
Online Access:	http://dx.doi.org/10.1155/2020/4921623

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