Simulation of structural and electrical parameters of СdS thin films

O.M. Chernikova; H.D. Mateik; Y.V. Ogorodnik

doi:10.15330/pcss.22.4.781-785

Authors

O.M. Chernikova Kryviy Rih National University
H.D. Mateik Ivano-Frankivsk National Technical University of Oil and Gas
Y.V. Ogorodnik Radiation Monitoring Devices, inc.

DOI:

https://doi.org/10.15330/pcss.22.4.781-785

Keywords:

nanostructures, density of state, the method of the theory of functionality of electronic density, pseudopotential, solar cells, nanoparticles, transition metals

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%.

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