Multifunctional Thiol-Containing Additives for Improved Photoluminescence and Photovoltaic Performance of Cs0.15FA0.85PbI3Perovskites

Md Aslam Uddin, Tareq Hossain, Nadeesha L. Kothalawala, Syed Joy, Doo Young Kim, Kenneth R. Graham

Research output: Contribution to journalArticlepeer-review

6 Scopus citations


Thiol containing molecules as both interfacial surface ligands and additives are promising modulators for enhancing photoluminescence (PL) properties, stability, and photovoltaic (PV) performance of metal halide perovskites. However, alkanethiols are much more effective for improving photoluminescence (PL) intensity and stability in metal halide perovskite nanocrystals than in their thin film analogues. Herein, we investigate how additional functional groups on a pyrimidine core can alter thiol reactivity and influence the PL, stability, and PV performance of organic metal halide perovskites. Through an investigation of five different pyrimidine derivatives, it is shown that all derivatives containing thiol groups form thiolates in the presence of the perovskite precursors and increase the photoluminescence intensity of the perovskite film. The largest all-around improvement to the PL intensity, stability, and photovoltaic performance of Cs0.15FA0.85PbI3perovskites is realized through the addition of a hydroxyl group combined with a trifluoromethyl group to form 4-hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol. This investigation helps illuminate how combinations of functional groups can be employed to further increase the beneficial effects over monofunctional additives in organic metal halide perovskites.

Original languageEnglish
Pages (from-to)903-909
Number of pages7
JournalACS Applied Electronic Materials
Issue number3
StatePublished - Mar 22 2022

Bibliographical note

Publisher Copyright:
© 2022 American Chemical Society.


  • organic metal halide perovskite
  • passivation
  • photoluminescence
  • photovoltaics
  • thin films

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Electrochemistry
  • Materials Chemistry


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