Simulation of structural and electrical parameters of СdS thin films
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Published:2021-12-30
Issue:4
Volume:22
Page:781-785
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ISSN:2309-8589
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Container-title:Physics and Chemistry of Solid State
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language:
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Short-container-title:Phys. Chem. Solid St.
Author:
Chernikova O.M.,Mateik H.D.,Ogorodnik Y.V.
Abstract
Based on the calculations from the first principles, we obtained the distributions of valence electron densities and electron energy spectra for a CdS film with different oxygen concentrations. According to the results of calculations, it is established that during the adsorption of oxygen atoms on the surface of CdS, oxygen taking electrons from the surface atoms of the CdS film, increases its catalytic activity. The oxygen concentration should not exceed 12.5%.
Publisher
Vasyl Stefanyk Precarpathian National University
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,General Materials Science