Self-Assembled Organic Cations-Assisted Band-Edge Tailoring in Bismuth-Based Perovskites for Enhanced Visible Light Absorption and Photoconductivity

Johnpaul K. Pious, Manasa G. Basavarajappa, Chinnadurai Muthu, Ryosuke Nishikubo, Akinori Saeki, Sudip Chakraborty, Atsuro Takai, Masayuki Takeuchi, Chakkooth Vijayakumar

Research output: Contribution to journalArticlepeer-review

Abstract

Bismuth-based zero-dimensional perovskites garner high research interest because of their advantages, such as excellent moisture stability and lower toxicity in comparison to lead-based congeners. However, the wide optical bandgap (>2 eV) and poor photoconductivity of these materials are the bottlenecks for their optoelectronic applications. Herein, we report a combined experimental and theoretical study of the structural features and optoelectronic properties of two novel and stable zero-dimensional bismuth perovskites: (biphenyl bis(methylammonium))1.5BiI6·2H2O (BPBI) and (naphthalene diimide bis(ethylammonium))1.5BiI6·2H2O (NDBI). NDBI features a remarkably narrower bandgap (1.82 eV) than BPBI (2.06 eV) because of the significant orbital contribution of self-assembled naphthalene diimide cations at the band edges of NDBI. Further, the FP-TRMC analysis revealed that the photoconductivity of NDBI is about 3.7-fold greater than that of BPBI. DFT calculations showed that the enhanced photoconductivity in NDBI arises from its type-IIa band alignment, whereas type-Ib alignment was seen in BPBI.

Original languageEnglish
Pages (from-to)5758-5764
Number of pages7
JournalJournal of Physical Chemistry Letters
Volume12
DOIs
Publication statusPublished - 2021
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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