Optical properties and first principles study of CH3NH3PbBr3 perovskite structures for solar cell application
AuthorsAl Ghaithi, Asma O.
Assa Aravindh, S.
Hedhili, Mohamed N.
Ng, Tien Khee
Ooi, Boon S.
KAUST DepartmentComputer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division
Electrical Engineering Program
Online Publication Date2020-08-15
Print Publication Date2021
Permanent link to this recordhttp://hdl.handle.net/10754/665193
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AbstractSolution-processed organic–inorganic hybrid perovskites have attracted attention as light-harvesting materials for solar cells and photonic applications. The present study focusses on cubic single crystal; microstructures of CH3NH3PbBr3 perovskite fabricated by a one-step solution based self-assembly method. It is seen that, in addition to the nucleation from the precursor solution, the crystallization occurs when the solution was supersaturated, followed by formation of small nucleus of CH3NH3PbBr3 that will self-assembled into bigger hollow cubes. A 3D fluorescence microscope investigation of hollow cubes confirmed the formation of hollow plates on the bottom, then the growth starts from the perimeter and propagate to the center of the cube. Furthermore, the growth in the (001) direction follows a layer-by-layer growth model to form a complete cube, confirmed by SEM observations. To get more insights into the structural and optical properties, density functional theory (DFT) simulations were conducted. The density of state (DOS) calculations revealed that the valence band maximum (VBM) consists of states contributed by Br and Pb, which agrees with the X-ray photoelectron spectroscopy valence band (XPSVB) measurements.
CitationAl Ghaithi, A. O., Assa Aravindh, S., Hedhili, M. N., Ng, T. K., Ooi, B. S., & Najar, A. (2020). Optical Properties and First Principles Study of CH3NH3PbBr3 Perovskite Structures for Solar Cell Application. Proceedings of the 2nd International Conference on Electronic Engineering and Renewable Energy Systems, 275–282. doi:10.1007/978-981-15-6259-4_28
SponsorsThis work was supported by UAE University, under NSS Center Project No. 21R032 and UPAR-project No 31S306. S. Assa Aravindh gratefully acknowledge CSC-IT, Finland for computational resources and Academy of Finland (# 311934).
Conference/Event name2nd International Conference on Electronic Engineering and Renewable Energy, ICEERE 2020