Density functional theory insights into A2BBiCl6 (A = Cs, K; B = Ag, Au) halide double perovskites for next-generation photovoltaics
Nicolaus Copernicus University · Medical University of Warsaw
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Abstract
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7
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- 64.79
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- 100%
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Authors
3- KMKatarzyna Mądra-Gackowska
Nicolaus Copernicus University
- MGMarcin Gackowski
Nicolaus Copernicus University
- ŁSŁukasz SzeleszczukCorresponding
Medical University of Warsaw
Topics & keywords
Topics
Keywords
- Density functional theory
- Band gap
- Ionic bonding
- Phonon
- Halide
- Direct and indirect band gaps
- Density of states
- Electronic band structure
UN Sustainable Development Goals
- Affordable and clean energy
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