Effect of Ca, Ba, Be, Mg, and Sr Substitution on Electronic and Optical Properties of XNb₂Bi₂O₉ for Energy Conversion Application Using Generalized Gradient Approximation–Perdew–Burke–Ernzerhof

Bismuth layered structure ferroelectrics (BLSFs), also known as Aurivillius phase materials, are ideal for energy-efficient applications, particularly for solar cells. This work reports the first comprehensive detailed theoretical study on the fascinating structural, electronic, and optical properti...

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Bibliografske podrobnosti

Principais autores:	Fatima Kainat, Nawishta Jabeen, Ali Yaqoob, Najam Ul Hassan, Ahmad Hussain, Mohamed E. Khalifa
Format:	Artigo
Jezik:	Inglês
Izdano:	MDPI AG 2024-08-01
Serija:	Crystals
Teme:	bandgap absorption dielectric solar cell DFT first-principles calculations
Online dostop:	https://www.mdpi.com/2073-4352/14/8/710
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