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

Angewandte Chemie
Ke-Zhao DuDavid B Mitzi

Abstract

The double perovskite family, A2 MI MIII X6 , is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH3 NH3 PbI3 . 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 Cs2 AgBiBr6 as host, band-gap engineering through alloying of InIII /SbIII has been demonstrated in the current work. Cs2 Ag(Bi1-x Mx )Br6 (M=In, Sb) accommodates up to 75 % InIII with increased band gap, and up to 37.5 % SbIII 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 Cs2 Ag(Bi0.625 Sb0.375 )Br6 . 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.

References

Aug 15, 1987·Physical Review. B, Condensed Matter·J E Bernard, A Zunger
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Apr 16, 2009·Journal of the American Chemical Society·Akihiro KojimaTsutomu Miyasaka
Feb 9, 2016·Journal of the American Chemical Society·Adam H SlavneyHemamala I Karunadasa
Mar 16, 2016·Accounts of Chemical Research·Xiaoyang Zhu
Mar 17, 2016·The Journal of Physical Chemistry Letters·George VolonakisFeliciano Giustino
Aug 6, 2016·Inorganic Chemistry·Adam H SlavneyHemamala I Karunadasa
Jan 24, 2017·Journal of the American Chemical Society·Xin-Gang ZhaoLijun Zhang
Jan 31, 2017·The Journal of Physical Chemistry Letters·George VolonakisFeliciano Giustino
Mar 30, 2017·Journal of the American Chemical Society·Adam H SlavneyHemamala I Karunadasa

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Citations

Dec 6, 2017·Chemistry : a European Journal·Zewen XiaoNitin P Padture
May 4, 2018·Chemical Communications : Chem Comm·Nila Nandha K, Angshuman Nag
Mar 15, 2019·Chemical Communications : Chem Comm·Fengxia WeiAnthony K Cheetham
Apr 27, 2019·Advanced Materials·Weihua Ning, Feng Gao
Jun 22, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Lazaros TheofylaktosThomas Stergiopoulos
Sep 4, 2019·Advanced Materials·Wanchun Xiang, Wolfgang Tress
Apr 21, 2020·Chemistry : a European Journal·Zhihua SunJunhua Luo
Oct 3, 2018·Advanced Materials·Weijun KeMercouri G Kanatzidis
Nov 27, 2019·Materials·Elena V UshakovaAlexander V Baranov
Mar 20, 2020·Chemical Science·Adam H SlavneyHemamala I Karunadasa
May 16, 2020·Angewandte Chemie·Fuxiang JiFeng Gao
Nov 5, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Shadrack J Adjogri, Edson L Meyer
Feb 24, 2021·Angewandte Chemie·Nathan R WolfHemamala I Karunadasa
May 1, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Fatemeh Heidari Gourji, Dhayalan Velauthapillai
May 7, 2021·The Journal of Physical Chemistry Letters·Joshua LeveilleeFeliciano Giustino

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