Concepedia

Stable hybrid organic–inorganic halide perovskites for photovoltaics from <i>ab initio</i> high-throughput calculations

Sabine Körbel, Miguel A. L. Marques, Silvana Botti

Journal of Materials Chemistry A · 2018 · 46 citations · 42 references

DOI

Concepts

Abstract

By means of high-throughput first-principles calculations, we screen a large number of hypothetical hybrid perovskite compounds by stability, band gap and effective mass to find the best perovskites for photovoltaics.

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