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Novel Tl2GeX6 (X=Cl,Br) double perovskites for solar cell, optoelectronic, and thermoelectric applications: A DFT investigation

This study aims to investigate the structural, mechanical, optical, electronic, and thermoelectric properties of novel double perovskites Tl2GeCl6 and Tl2GeBr6. The Quantum Espresso code was employed to perform the Density Functional Theory (DFT) calculation on the perovskites’ characteristics. The...

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Principais autores: Redi Kristian Pingak, Amine Harbi, Soukaina Bouhmaidi, Albert Z. Johannes, Nikodemus U.J. Hauwali, Wahidullah Khan, Fidelis Nitti, David Tambaru, M. Moutaabbid, Larbi Setti
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2024-12-01
Serier:Chemical Physics Impact
Fag:
Ge-based perovskites
Optoelectronic properties
Thermoelectric properties
DFT
Quantum espresso
Solar cells
Online adgang:http://www.sciencedirect.com/science/article/pii/S2667022424002937
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