Work

High-efficiency, lead-free FA0.8MA0.2SnI3 perovskite solar cell with passivated interfaces and tuned energy alignment: A wxAMPS simulation study

Year: 2025

Type: article

Abstract: Lead toxicity remains a critical barrier to the commercialization of perovskite solar cells. Tin-based perovskites offer a promising eco-friendly alternative; however, Sn2+ oxidation induces high p-type doping and deep-level defects, leading to severe non-radiative recombination and rapid performance degradation. This work presents a comprehensive simulation study of a lead-free n-i-p FA0.8MA0.2SnI3 perovskite cell, designed for both efficiency and environmental sustainability. The optimized device architecture comprises SnO2:PCBM as the electron transport layer (ETL), a PCBM interlayer doped with hypophosphorous acid (HPA) to suppress Sn2+ oxidation, and a V2O5:PEDOT:PSS hybrid hole transport layer (HTL) to enhance conductivity and stability. A 2PACz self-assembled monolayer (SAM) improves hole extraction at the back contact. Device simulations using wxAMPS yield a power conversion efficiency of 21.53% under AM1.5G illumination, with a short-circuit current density of 27.12 mA/cm2 and open-circuit voltage of 1.06 V. Parametric studies demonstrate that efficiency drops from 21.53% to 8.22% as defect density increases from 1×1014 to 5×1017 cm−3, driven by sharp reductions in VOC and FF, while JSC remains nearly unchanged—indicating robust charge generation but poor carrier collection under high defect loads. Further simulations of carrier mobilities ranges (from [[EQUATION]] to 20 cm2/V.s) show efficiency saturates when [[EQUATION]] cm2/V·s (for fixed [[EQUATION]]) and [[EQUATION]] cm2/V·s (for fixed [[EQUATION]]), highlighting the importance of balanced charge transport over ultra-high absolute mobility. By identifying bulk defect passivation and balanced charge transport as key levers for performance enhancement, it outlines a viable pathway toward >21% efficient Sn-based devices suitable for scalable fabrication and future tandem integration.

Source: Results in Engineering

DOI: 10.1016/j.rineng.2025.108123

Author: Ahmed Obaid M. Alzahrani

Institution: King Abdulaziz University

Language: English

Topic: Perovskite Materials and Applications

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: gold

Estimated APC paid: $1,940