Characterization of opto-electronic properties of thermally evaporated ZnO
Document Type
Article
Publication Date
1-1-2020
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.
Keywords
DFT, Vacuum thermal evaporation, Photoelectrode, ZnO, Realistic clusters
Divisions
Science,PHYSICS
Publication Title
Materials Today-Proceedings
Volume
29
Issue
1, SI
Publisher
Elsevier
Publisher Location
RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS
Additional Information
4th Advanced Materials Conference (AMC), Kuching, MALAYSIA, NOV 27-28, 2018