Dissociative Host-Dopant Bonding Facilitates Molecular Doping in Halide Perovskites

Luis Lanzetta, Luca Gregori, Luis Huerta Hernandez, Anirudh Sharma, Stefanie Kern, Anna M. Kotowska, Abdul Hamid Emwas, Luis Gutiérrez-Arzaluz, David J. Scurr, Matthew Piggott, Daniele Meggiolaro*, Md Azimul Haque, Filippo De Angelis, Derya Baran*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


Molecular doping is a promising strategy to fine-tune the electronic properties of halide perovskites and accelerate their implementation in next-generation optoelectronics. However, a deeper understanding of the role of host-dopant interactions in these systems is needed to fully exploit the potential of this avenue. Herein, we demonstrate a surface post-treatment strategy employing n-type molecular dopant n-DMBI-H to modulate free hole density in p-type CH3NH3Sn0.75Pb0.25I3 films. We show that the adsorption of n-DMBI-H on surface Sn atoms, followed by the dissociation of an electron-donating hydride from the dopant, facilitates charge transfer to the perovskite and hole trapping at the dissociated hydride. We identify this mechanism as a key factor dictating doping compensation in perovskites, allowing carrier density control within nearly 1 order of magnitude via the dissociated molecular dopant located at film surfaces and grain boundaries. We then exploit n-DMBI-H in perovskite/transport layer junctions, achieving reduced carrier losses and improved contact selectivity and performance in p-i-n, Sn-rich perovskite solar cells. We expect this work to provide carrier density tuning guidelines for a broad range of tin-based perovskite applications.

Original languageEnglish (US)
Pages (from-to)2858-2867
Number of pages10
JournalACS Energy Letters
Issue number7
StatePublished - Jul 14 2023

Bibliographical note

Publisher Copyright:
© 2023 American Chemical Society.

ASJC Scopus subject areas

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


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