Thermal Tolerance of Perovskite Quantum Dots Dependent on A-Site Cation and Surface Ligand

Shuo Wang, Qian Zhao, Abhijit Hazarika, Simiao Li, Yue Wu, Yaxin Zhai, Xihan Chen, Joseph Luther, Guoran Li

Research output: Contribution to journalArticlepeer-review

20 Scopus Citations


A detailed picture of temperature dependent behavior of CsxFA1-xPbI3 perovskite quantum dots across the composition range is constructed by performing in situ optical spectroscopic and structural measurements, supported by theoretical calculations that focus on the relation between A-site chemical composition and surface ligand binding. The thermal degradation mechanism depends not only on the exact chemical composition, but also on the ligand binding energy. The thermal degradation of Cs-rich perovskite quantum dots is induced by a phase transition from black γ-phase to yellow δ-phase, while FA-rich perovskite quantum dots with higher ligand binding energy directly decompose into PbI2. Quantum dot growth to form large bulk size grain is observed for all CsxFA1-xPbI3 perovskite quantum dots at elevated temperatures. In addition, FA-rich quantum dots possess stronger electron−longitudinal optical phonon coupling, suggesting that photogenerated excitons in FA-rich quantum dots have higher probability to be dissociated by phonon scattering compared to Cs-rich quantum dots.

Original languageAmerican English
Article numberArticle No. 2216
Number of pages12
JournalNature Communications
Issue number1
StatePublished - Dec 2023

Bibliographical note

Publisher Copyright:
© 2023, The Author(s).

NREL Publication Number

  • NREL/JA-5900-84589


  • in situ characterization
  • ligand binding
  • nanocrystals
  • perovskite quantum dot
  • phase transition
  • thermal stability


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