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Bandgap Engineering of Lead‐Free Double Perovskite Cs2AgBiBr6 through Trivalent Metal Alloying

Open access
Du, Ke‐zhao, Meng, Weiwei, Wang, Xiaoming, Yan, Yanfa, Mitzi, David B.·2017·Angewandte Chemie International Edition

Abstract

The double perovskite family, A 2 M I M III X 6, is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH 3 NH 3 PbI 3. Given the generally large indirect band gap within most known double perovskites, band‐gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs 2 AgBiBr 6 as host, band‐gap engineering through alloying of In III/Sb III has been demonstrated in the current work. Cs 2 Ag(Bi 1−xMx)Br 6 (M=In, Sb) accommodates up to 75 % In III with increased band gap, and up to 37.5 % Sb III with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs 2 Ag(Bi 0.625 Sb 0.375)Br 6. Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three‐metal systems are also assessed.

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Metadata

Authors
Du, K., Meng, W., Wang, X., Yan, Y., & Mitzi, D. B.
Venue
Angewandte Chemie International Edition
Publisher
Wiley
Published
2017-06-12
Volume
56
Issue
28
Pages
8158-8162
ISSN
  • 1433-7851 (ISSN-L)
  • 1521-3773
OpenAlex
W2616554041
Cited by
563
References
1
FWCI
19.80
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Bandgap Engineering of Lead‐Free Double Perovskite Cs2AgBiBr6 through Trivalent Metal Alloying. https://app.cochat.ai/papers/10.1002/anie.201703970
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Du, K., Meng, W., Wang, X., Yan, Y., & Mitzi, D. B. (2017). Bandgap Engineering of Lead‐Free Double Perovskite Cs2AgBiBr6 through Trivalent Metal Alloying. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.201703970

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