Comprehensive analysis of heterojunction compatibility of various perovskite solar cells with promising charge transport materials

Shayan Tariq Jan; Muhammad Noman

doi:10.1038/s41598-023-46482-5

Comprehensive analysis of heterojunction compatibility of various perovskite solar cells with promising charge transport materials

Sci Rep. 2023 Nov 3;13(1):19015. doi: 10.1038/s41598-023-46482-5.

Authors

Shayan Tariq Jan^{1

2}, Muhammad Noman³

Affiliations

¹ U.S.-Pakistan Center for Advanced Studies in Energy, University of Engineering and Technology, Peshawar, Pakistan.
² Department of Energy Engineering Technology, University of Technology, Nowshera, Pakistan.
³ U.S.-Pakistan Center for Advanced Studies in Energy, University of Engineering and Technology, Peshawar, Pakistan. muhammad.noman@uetpeshawar.edu.pk.

Abstract

The allure of perovskite solar cells (PSCs), which has captivated the interest of researchers, lies in their versatility to incorporate a wide range of materials within the cell's structure. The compatibility of these materials plays a vital role in the performance enhancement of the PSC. In this study, multiple perovskite materials including FAPbI₃, MAGeI₃ and MASnI₃ are numerically modelled along with the recently emerged kesterite (CBTS, CMTS, and CZTS) and zinc-based (ZnO and CdZnS) charge transport materials. To fully explore the potential of PSCs and comprehend the interplay among these materials, a total of 18 PSC structures are modeled from different material combinations. The impact of band gap, electron affinity, absorption, band alignment, band offset, electric field, recombination rate, thickness, defects, and work function were analyzed in detail through a systematic approach. The reasons for varying performance of different PSCs are also identified. Based on the simulated results, the most suitable charge transport materials are CdZnS/CMTS for FAPbI₃ producing a power conversion efficiency (PCE) of 22.05%, ZnO/CZTS for MAGeI₃ with PCE of 17.28% and ZnO/CBTS for MASnI₃ with a PCE of 24.17%.