Azmi, F. F. A. and Kadir, Mohd Fakhrul Zamani and Aziz, Shujahadeen B. and Muzakir, S. K. (2020) Characterization of opto-electronic properties of thermally evaporated ZnO. Materials Today-Proceedings, 29 (1, SI). pp. 179-184. ISSN 2214-7853, DOI https://doi.org/10.1016/j.matpr.2020.05.539.
Full text not available from this repository.Abstract
Photoelectrode plays significant role in excitonic solar cells i.e., (i) as an acceptor and (ii) transport media of excited state electron from the fluorophore upon absorption of energy of photon; which prevents from electron-hole recombination in the fluorophore. The evolution of opto-electronic properties of the ZnO upon change of size, however, receives insufficient attention from researchers. Therefore, the aim of this paper is to establish few realistic clusters of (ZnO)(n) (n = 3, 6,12,13, and 21) to study their opto-electronic properties using quantum chemical calculations at the level of B3LYP functional and lanl2dz basis set. Geometry of the clusters were optimized to the lowest energy structures; evaluated as realistic using a combination of harmonic frequency calculations, and experimental works. A device structure of cadmium selenide-based solar cell was used in the study to analyze the energy level alignment, and compatibility of the ZnO realistic clusters. (C) 2019 Elsevier Ltd. All rights reserved.
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| Additional Information: | 4th Advanced Materials Conference (AMC), Kuching, MALAYSIA, NOV 27-28, 2018 |
| Uncontrolled Keywords: | DFT; Vacuum thermal evaporation; Photoelectrode; ZnO; Realistic clusters |
| Subjects: | Q Science > Q Science (General) Q Science > QC Physics |
| Divisions: | Faculty of Science Faculty of Science > Department of Physics |
| Depositing User: | Ms Zaharah Ramly |
| Date Deposited: | 01 Dec 2023 13:44 |
| Last Modified: | 01 Dec 2023 13:44 |
| URI: | http://eprints.um.edu.my/id/eprint/36991 |
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