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)...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2020-01-01
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| Series: | Science and Technology of Nuclear Installations |
| Online Access: | http://dx.doi.org/10.1155/2020/4921623 |