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A-site cation influence on the conduction band of lead bromide perovskites

Author

Listed:
  • Gabriel J. Man

    (Uppsala University
    GJM Scientific Consulting)

  • Chinnathambi Kamal

    (Stockholm University, AlbaNova University Center
    HRDS, Raja Ramanna Centre for Advanced Technology
    Training School Complex, Anushakti Nagar)

  • Aleksandr Kalinko

    (Deutsches Elektronen-Synchrotron DESY)

  • Dibya Phuyal

    (KTH Royal Institute of Technology)

  • Joydev Acharya

    (Gopanpally Village, Serilingampally Mandal)

  • Soham Mukherjee

    (Uppsala University)

  • Pabitra K. Nayak

    (Gopanpally Village, Serilingampally Mandal)

  • Håkan Rensmo

    (Uppsala University)

  • Michael Odelius

    (Stockholm University, AlbaNova University Center)

  • Sergei M. Butorin

    (Uppsala University)

Abstract

Hot carrier solar cells hold promise for exceeding the Shockley-Queisser limit. Slow hot carrier cooling is one of the most intriguing properties of lead halide perovskites and distinguishes this class of materials from competing materials used in solar cells. Here we use the element selectivity of high-resolution X-ray spectroscopy and density functional theory to uncover a previously hidden feature in the conduction band states, the σ-π energy splitting, and find that it is strongly influenced by the strength of electronic coupling between the A-cation and bromide-lead sublattice. Our finding provides an alternative mechanism to the commonly discussed polaronic screening and hot phonon bottleneck carrier cooling mechanisms. Our work emphasizes the optoelectronic role of the A-cation, provides a comprehensive view of A-cation effects in the crystal and electronic structures, and outlines a broadly applicable spectroscopic approach for assessing the impact of chemical alterations of the A-cation on perovskite electronic structure.

Suggested Citation

  • Gabriel J. Man & Chinnathambi Kamal & Aleksandr Kalinko & Dibya Phuyal & Joydev Acharya & Soham Mukherjee & Pabitra K. Nayak & Håkan Rensmo & Michael Odelius & Sergei M. Butorin, 2022. "A-site cation influence on the conduction band of lead bromide perovskites," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-31416-y
    DOI: 10.1038/s41467-022-31416-y
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    References listed on IDEAS

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    1. Shuxia Tao & Ines Schmidt & Geert Brocks & Junke Jiang & Ionut Tranca & Klaus Meerholz & Selina Olthof, 2019. "Absolute energy level positions in tin- and lead-based halide perovskites," Nature Communications, Nature, vol. 10(1), pages 1-10, December.
    2. Pabitra K. Nayak & David T. Moore & Bernard Wenger & Simantini Nayak & Amir A. Haghighirad & Adam Fineberg & Nakita K. Noel & Obadiah G. Reid & Garry Rumbles & Philipp Kukura & Kylie A. Vincent & Henr, 2016. "Mechanism for rapid growth of organic–inorganic halide perovskite crystals," Nature Communications, Nature, vol. 7(1), pages 1-8, December.
    3. Jaeki Jeong & Minjin Kim & Jongdeuk Seo & Haizhou Lu & Paramvir Ahlawat & Aditya Mishra & Yingguo Yang & Michael A. Hope & Felix T. Eickemeyer & Maengsuk Kim & Yung Jin Yoon & In Woo Choi & Barbara Pr, 2021. "Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells," Nature, Nature, vol. 592(7854), pages 381-385, April.
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