Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics

Lead halide perovskites have attracted great interest because of rapid improvements in the efficiency of photovoltaics based on these materials. To predict new related functional materials, a good understanding of the correlations between crystal chemistry, electronic structure, and optoelectronic p...

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Veröffentlicht in:	Journal of physical chemistry. C 2014-12, Vol.118 (48), p.27721-27727
Hauptverfasser:	Brgoch, Jakoah, Lehner, Anna J, Chabinyc, Michael, Seshadri, Ram
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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