DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study

Autor: Hernández-Haro, Noemí, Ortega-Castro, Joaquín, Martynov, Yaroslav B., Nazmitdinov, Rashid G., Frontera, Antonio
Zdroj: In Chemical Physics 4 January 2019 516:225-231
Databáze: ScienceDirect