Numerical simulation of lead-free vacancy ordered Cs 2 PtI 6 based perovskite solar cell using SCAPS-1D

Amjad, A., Qamar, S., Zhao, C. , Fatima, K., Sultan, M. and Akhter, Z. (2023) Numerical simulation of lead-free vacancy ordered Cs 2 PtI 6 based perovskite solar cell using SCAPS-1D. RSC Advances, 13(33), pp. 23211-23222. (doi: 10.1039/d3ra04176j) (PMID:37533780)

Abstract

In recent years, vacancy-ordered halide double perovskites have emerged as promising non-toxic and stable alternatives for their lead-based counterparts in optoelectronic applications. In particular, vacancy ordered Cs2PtI6 has emerged as a star material because of its high absorption coefficient, band gap of 1.37 eV, and long minority carrier lifetime. Despite substantial experimental research on this new class of material, theoretical simulations of their device properties remain scarce. In this work, a novel n-i-p device architecture (FTO/SnO2/Cs2PtI6/MoO3/C) is theoretically investigated using a solar cell capacitance simulator (SCAPS-1D). Theoretical investigations are carried out in order to optimize the device performance structure by varying the perovskite and selective charge transport layer thickness, absorber and interface defect density, operating temperature, back contact, series and shunt resistance, respectively. The optimized device showed an impressive power conversion efficiency (PCE) of 23.52% at 300 K, which is higher than the previously reported values. Subsequent analysis of the device's spectral response indicated that it possessed 98.9% quantum efficiency (QE) and was visibly active. These findings will provide theoretical guidelines for enhancing the performance of Cs2PtI6-based photovoltaic solar cells (PSCs) and pave the way for the widespread implementation of environmentally benign and stable perovskites.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Qamar, Miss Samina and zhao, chengcheng
• Authors: Amjad, A., Qamar, S., Zhao, C., Fatima, K., Sultan, M., and Akhter, Z.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: RSC Advances
• Publisher: Royal Society of Chemistry
• ISSN: 2046-2069
• ISSN (Online): 2046-2069
• Published Online: 01 August 2023
• Copyright Holders: Copyright © 2023 The Author(s)
• First Published: First published in RSC Advances 13(33):23211-23222
• Publisher Policy: Reproduced under a Creative Commons license