Characterization of opto-electronic properties of thermally evaporated ZnO

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

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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
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

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