Photoinduced Dynamic Defects Responsible for the Giant, Reversible, and Bidirectional Light-Soaking Effect in Perovskite Solar Cells
- 21 September 2021
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry Letters
- Vol. 12 (38), 9328-9335
- https://doi.org/10.1021/acs.jpclett.1c02929
Abstract
Perovskite solar cells (PSCs) exhibit large, reversible, and bidirectional light-soaking effects (LSEs); however, these anomalous LSEs are poorly understood, limiting the stability engineering and commercialization. We present a unified defect theory for the LSEs in lead halide perovskites by reconciling their defect photochemistry, ionic migration, and carrier dynamics. We considered typical detrimental defects (IPb, Ii, VI) and observed that two atomic configurations were favored, where the carrier lifetime of one configuration was nearly 1 order of magnitude longer than that in the other. First-principles calculations showed that light illumination promotes ion-diffusion-assisted transitions from energetically stable configurations to metastable configurations, which are converted back to stable configurations in the dark. Fermi-level-dependent formation energies of stable/metastable configurations were used to rationalize contradictory experimental results of anomalous LSEs in PSCs observed in various studies, thus providing insights for minimizing the LSE to achieve high-performance stable PSCs.Funding Information
- Ministry of Science and Technology of the People's Republic of China (2020YFB1506400)
- China Postdoctoral Science Foundation (2020M671570)
- National Natural Science Foundation of China (11974257)
- Priority Academic Program Development of Jiangsu Higher Education Institutions
- Jiangsu Distinguished Young Talent Funding (BK20200003)
- Yunnan Province (202002AB080001-1)
This publication has 68 references indexed in Scilit:
- Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell PerformanceAdvanced Materials, 2014
- The Role of Intrinsic Defects in Methylammonium Lead Iodide PerovskiteThe Journal of Physical Chemistry Letters, 2014
- Unusual defect physics in CH3NH3PbI3 perovskite solar cell absorberApplied Physics Letters, 2014
- Formation of a passivating CH3NH3PbI3/PbI2 interface during moderate heating of CH3NH3PbI3 layersApplied Physics Letters, 2013
- Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar CellsNano Letters, 2013
- centers in GaAs and GaSbPhysical Review B, 2005
- Theory of the Atomic and Electronic Structure ofCenters in GaAs andAlloysPhysical Review Letters, 1988
- Reversible conductivity changes in discharge-produced amorphous SiApplied Physics Letters, 1977
- Statistics of the Recombinations of Holes and ElectronsPhysical Review B, 1952
- Electron-Hole Recombination in GermaniumPhysical Review B, 1952