Bandgap Engineering of Lead-Free Double Perovskite Cs2 AgBiBr6 through Trivalent Metal Alloying

Du, Ke-zhao; Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa; Mitzi, David B.

doi:10.1002/anie.201703970

Title: Bandgap Engineering of Lead-Free Double Perovskite Cs₂ AgBiBr₆ through Trivalent Metal Alloying

Journal Article · Thu May 18 00:00:00 EDT 2017 · Angewandte Chemie (International Edition)

DOI:https://doi.org/10.1002/anie.201703970· OSTI ID:1559767

Du, Ke-zhao ^[1]; Meng, Weiwei ^[2]; Wang, Xiaoming ^[2]; Yan, Yanfa ^[2];

^[3]

Duke Univ., Durham, NC (United States). Dept. of Mechanical Engineering and Materials Science, and Dept. of Chemistry
Univ. of Toledo, OH (United States). Wright Center for Photovoltaics Innovation and Commercialization (PVIC)
Duke Univ., Durham, NC (United States). Dept. of Mechanical Engineering and Materials Science, and Dept. of Chemistry

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− x} M _x )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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Research Organization:: Duke Univ., Durham, NC (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office

Grant/Contract Number:: EE0006712

OSTI ID:: 1559767

Alternate ID(s):: OSTI ID: 1401904

Journal Information:: Angewandte Chemie (International Edition), Vol. 56, Issue 28; ISSN 1433-7851

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 375 works

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