A DFT Study of Alkaline Earth Metal-Doped FAPbI[sub.3] Surfaces

Density functional theory calculations have been performed to study the effect of replacing lead by alkaline earth metals on the stability, electronic and optical properties of the formamidinium lead triiodide (FAPbI[sub.3] ) (111) and (100) surfaces with different terminations in the form of FAPb[s...

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Veröffentlicht in:	Molecules (Basel, Switzerland) Switzerland), 2023-01, Vol.28 (1)
Hauptverfasser:	RaeisianAsl, Maryam, Sarabadani Tafreshi, Saeedeh, de Leeuw, Nora H
Format:	Artikel
Sprache:	eng
Schlagworte:	Analysis Density functionals Optoelectronics
Online-Zugang:	Volltext
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