Study on the Enhanced Visible Photocatalysis Activity in Transition Metal Doped ZnS

Li Guan; Ai Ling Wu; Ting Kun Gu; Wei Wei Yu

doi:10.4028/www.scientific.net/AMR.734-737.2351

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 734-737Study on the Enhanced Visible Photocatalysis...

Study on the Enhanced Visible Photocatalysis Activity in Transition Metal Doped ZnS

Abstract:

The electronic structure and optical properties of pristine and Pd-doped or Ag-doped zinc blende ZnS were calculated with the ab-initio ultrasoft pseudopotential plane wave approximation method based on density functional theory (DFT). The results show that doping significantly alters the system band structure and the electronic density of states (DOS), effectivly enhancing the ZnS optical response and the photocatalytic activity in the visible light range. The microscopic mechanism shows that ZnS photocatalysis efficiency is observably improved through doping.

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Periodical:

Advanced Materials Research (Volumes 734-737)

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2351-2355

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.734-737.2351

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Online since:

August 2013

Authors:

Li Guan*, Ai Ling Wu, Ting Kun Gu, Wei Wei Yu

Keywords:

Density Functional Theory (DFT), Photocatalysis, Transition Metal Doped, ZnS

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* - Corresponding Author

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