Persistent Ion Accumulation at Interfaces Improves the Performance of Perovskite Solar Cells

Joshua A. Kress, Claudio Quarti, Qingzhi An, Sapir Bitton, Nir Tessler, David Beljonne, Yana Vaynzof

Research output: Contribution to journalArticlepeer-review


The mixed ionic-electronic nature of lead halide perovskites makes their performance in solar cells complex in nature. Ion migration is often associated with negative impacts─such as hysteresis or device degradation─leading to significant efforts to suppress ionic movement in perovskite solar cells. In this work, we demonstrate that ion trapping at the perovskite/electron transport layer interface induces band bending, thus increasing the built-in potential and open-circuit voltage of the device. Quantum chemical calculations reveal that iodine interstitials are stabilized at that interface, effectively trapping them at a remarkably high density of ∼1021 cm-3 which causes the band bending. Despite the presence of this high density of ionic defects, the electronic structure calculations show no sub-band-gap states (electronic traps) are formed due to a pronounced perovskite lattice reorganization. Our work demonstrates that ionic traps can have a positive impact on device performance of perovskite solar cells.

Original languageEnglish
Pages (from-to)3302-3310
Number of pages9
JournalACS Energy Letters
Issue number10
StatePublished - 14 Oct 2022

All Science Journal Classification (ASJC) codes

  • Chemistry (miscellaneous)
  • Energy Engineering and Power Technology
  • Materials Chemistry
  • Fuel Technology
  • Renewable Energy, Sustainability and the Environment


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