Structural properties, thermodynamic stability and reaction pathways for solid-state synthesis of Bi 2 WO 6 polymorphs

This study presents a density functional theory (DFT) investigation into the structural, electronic, and optical properties, thermodynamic stability, phase competition, and reaction pathways of Bi WO , a notable compound within the Aurivillius family of oxides. We examine three distinct polymorphs o...

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Veröffentlicht in:	Dalton transactions : an international journal of inorganic chemistry 2025-01, Vol.54 (2), p.700-718
Hauptverfasser:	Doan-Thi, Hien, Tran-Phan-Thuy, Linh, Pham-Van, Hai, Luc-Huy, Hoang
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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