Cd1-xZnxS Quantum Dots for Photovoltaics Application: First-Principles Study the Effects of the Metal Vacancies on the Structural, Electron and Emission Properties
| Autor: | Shkrebtii / Chkrebtii, A.I., Kupchak, I.M., Korbutyak, D.V., Serpak, N.F. |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: | |
| DOI: | 10.4229/eupvsec20202020-1bv.4.14 |
| Popis: | 37th European Photovoltaic Solar Energy Conference and Exhibition; 79-82 We investigated from the first principles atomic and electronic structure, and optical properties of the bare and passivated CdS, ZnS, and Cd0.5Zn0.5S quantum dots (QDs) by modeling Cd33S33, Zn33S33, and Cd16Zn17S33 atomic clusters. Important for photovoltaics (PV) parameters such as band gap, dielectric function, defect induced states and luminescent properties have been analyzed. It has been found, that a neutral cadmium vacancy in CdS and Cd0.5Zn0.5S forms the local states near the top of the valence band, whereas a zinc vacancy produces the local state at 0.9 eV in the energy gap. Since the experimental photoluminescent (PL) emission spectra of CdS and CdS:Zn QDs are in 2.1 – 2.3 eV range, we conclude that the cadmium vacancies are the possible channels of radiative recombination in Cd1-xZnxS QDs. The research demonstrates that Cd1-xZnxS quantum dots are multipurpose nanosystems for various photovoltaic systems. |
| Databáze: | OpenAIRE |
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