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journal article·2024-08-09Open access

Unveiling Double A-Site Cation Perovskite-Inspired Materials: From 0D-Cs3Bi2I9 to 2D-Cs2AgBi2I9 with Enhanced Charge Transport

Mozakkar Hossain, Kuntal Singh, Ankita Narwal, Md Sariful Sheikh, Sandeep K Reddy, Kiran Vankayala, Asha Singh, Saleem Khan, Salahuddin Khan, Praveen Kumar Velpula, Manohar Chirumamilla, Sharma S. R. K. C. Yamijala, G. Krishnamurthy Grandhi, Paola Vivo, K. D. M. Rao

Chemistry of Materials
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Abstract

Bismuth-based halideperovskite-inspired materials (PIMs) are gaining increasing attention as sustainable and stable alternatives to lead halide perovskites. However, many PIMs have wide band gaps (≥2 eV) and low electronic dimensionality, limiting their utility in optoelectronic applications. In this study, we introduce Cs 2 AgBi 2 I 9, a two-dimensional perovskite-inspired absorber achieved through partial substitution of Cs + with Ag + at the A-site of Cs 3 Bi 2 I 9 . Single-crystal X-ray diffraction analysis reveals that silver atoms occupy the edge sites in the hexagonal lattice, resulting in contracted lattice parameters compared to the parent Cs 3 Bi 2 I 9 . The double A-cation substitution promotes orbital overlap between Ag 5 s and I 6 p orbitals, leading to a narrower band gap of 1.72 eV and a delocalized electronic structure in Cs 2 AgBi 2 I 9 . Consequently, the 2D-PIM exhibits a three-orders-of-magnitude lower electrical resistivity and an exceptional carrier mobility-lifetime product (μτ) of 3.4 × 10 –3 cm 2 V –1, representing the highest among solution-processed Bi-PIMs. Furthermore, low-temperature photoluminescence measurements indicate weak electron–phonon coupling, while transient absorption spectroscopy reveals extended hot-carrier lifetimes, suggesting efficient exciton transport in Cs 2 AgBi 2 I 9 . Utilizing these exceptional charge transport properties, Cs 2 AgBi 2 I 9 photodetectors show a remarkable broad spectral response. This work demonstrates the potential of a double A-site cation engineering strategy to develop low-toxicity PIMs with precisely tailored structural and optoelectronic properties.
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Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Solid-state spectroscopy and crystallography · 2D Materials and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Applied & Interdisciplinary Sciences, Indian Association for the Cultivation of Science, Kolkata, Jadavpur 700032, India

Department of Chemistry, Indian Institute of Technology Madras, Chennai 600036, India

Centre for Computational and Data Science, Indian Institute of Technology Kharagpur, Kharagpur, West Bengal 721302, India

Department of Chemistry, Birla Institute of Technology and Science (BITS) Pilani, K. K. Birla Goa Campus, Zuarinagar, Goa 403726, India

Raja Ramanna Centre for Advanced Technology, Indore, M.P. 452013, India

Homi Bhabha National Institute, Mumbai 400094, India

UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore, M.P. 452001, India

Department of Materials and Production, Aalborg University, Skjernvej 4A, Aalborg 9220, Denmark

Institute of Optical and Electronic Materials, Hamburg University of Technology, Eissendorfer Strasse 38, Hamburg 21073, Germany

Centre for Quantum Information, Communication, and Computing, Indian Institute of Technology Madras, Chennai 600036, India

Centre for Atomistic Modelling and Materials Design, Indian Institute of Technology Madras, Chennai 600036, India

Centre for Molecular Materials and Functions, Indian Institute of Technology Madras, Chennai 600036, India

Hybrid Solar Cells, Faculty of Engineering and Natural Sciences, Tampere University, P.O. Box 541, Tampere FI-33014, Finland

Funding

Council of Scientific and Industrial Research, India · Indian Institute of Technology Madras · Science and Engineering Research Board · UGC-DAE?Consortium for Scientific Research, University Grants Commission · Ministry of Education, India · Research Council of Finland · Tampere Institute for Advanced Study

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