Vacancy Defects' Effects on the Optoelectronic Properties of MAPbI 3.
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| Title: | Vacancy Defects' Effects on the Optoelectronic Properties of MAPbI 3. |
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| Authors: | Tang, Wenchao1 (AUTHOR), Ji, Peiqi1,2 (AUTHOR), Xu, Ziyi1,2 (AUTHOR), Xu, Cuiping1 (AUTHOR), Dai, Jiaqi1 (AUTHOR), Chen, Xiyu1 (AUTHOR), Xu, Yawen1 (AUTHOR), Cai, Hongling1 (AUTHOR), Zhang, Fengming1 (AUTHOR), Wu, Xiaoshan1,2 (AUTHOR) xswu@nju.edu.cn |
| Source: | Materials (1996-1944). Jun2025, Vol. 18 Issue 12, p2694. 12p. |
| Subjects: | Fermi level, Point defects, Perovskite, Crystals |
| 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. [ABSTRACT FROM AUTHOR] |
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| Database: | Engineering Source |
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| 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. [ABSTRACT FROM AUTHOR] |
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| ISSN: | 19961944 |
| DOI: | 10.3390/ma18122694 |
