Tuning Novel NaLaS2(1–x)(Se or Te)2x Alloys as Light-Absorbing Materials by Dopant-Induced Crystallographic Phase and Electronic Structure Transitions

The electronic and optical properties of a NaLaS2 compound, doped with different concentrations of Se and Te atoms, are explored using periodic density functional theory calculations. The primary objective is to identify light-absorbing materials for use in photovoltaic applications. It is found tha...

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Veröffentlicht in:	Journal of physical chemistry. C 2023-09, Vol.127 (35), p.17532-17544
Hauptverfasser:	Azzouz, Lahcene, Rérat, Michel, Matta, Chérif F.
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Physical Properties of Materials and Interfaces
Online-Zugang:	Volltext
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