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Title: Self-Assembled Organic Cations-Assisted Band-Edge Tailoring in Bismuth-Based Perovskites for Enhanced Visible Light Absorption and Photoconductivity
Authors: Pious, JK
Basavarajappa, MG
Muthu, C
Nishikubo, R
Saeki, A
Chakraborty, S
Takai, A
Takeuchi, M
Vijayakumar, C
Keywords: electrical conductivity
Issue Date: 24-Jun-2021
Publisher: American Chemical Society
Citation: The Journal of Physical Chemistry Letters; 12(24): 5758-5764
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.
Appears in Collections:2021

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