Year: 2025
Type: article
Abstract: This work derived the relationship between the concentrations of Pb2+ and I− vacancies, along with MA+ vacancies, in MAPbI3 crystals and their effect on the short-circuit current of MAPbI3-based solar photovoltaic devices. First principles calculations revealed that Pb2+ and I− vacancies introduce shallow defect levels near the Fermi level, acting as non-radiative recombination centers, which significantly influence the short-circuit current and open-circuit voltage. In contrast, MA+ vacancies have a negligible effect on the optoelectronic properties of MAPbI3. Based on this correlation, we successfully elucidated the declining trend of the short-circuit current (Jsc) in MAPbI3-based devices with increasing Pb2+/I− vacancy concentrations, while uncovering the microscopic mechanism responsible for the minor performance impact of MA+ vacancies.
Source: Materials
DOI: 10.3390/ma18122694
Authors: Wenchao Tang, Peiqi Ji, Ziyi Xu, Cuiping Xu, Jiaqi Dai, Xiyu Chen, Yawen Xu, Hongling Cai, Fengming Zhang, Xiaoshan Wu
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,137
Awards: G1138073300, G3141180406, G909354315
OpenAlex ID: W4411133487