Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method

In recent years, metal halide perovskites (MHPs) for optoelectronic applications have attracted the attention of the scientific community due to their outstanding performance. The fundamental understanding of their physicochemical properties is essential for improving their efficiency and stability....

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Veröffentlicht in:	Journal of chemical information and modeling Jg. 61; H. 9; S. 4415
Hauptverfasser:	Vicent-Luna, José Manuel, Apergi, Sofia, Tao, Shuxia
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	27.09.2021
ISSN:	1549-960X, 1549-960X
Online-Zugang:	Weitere Angaben
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