Band Gap and Polarization Tuning of Ion-Doped <i>X</i>NbO<sub>3</sub> (<i>X</i> = Li, K, Na, Ag) for Photovoltaic and Energy Storage Applications

Band Gap and Polarization Tuning of Ion-Doped <i>X</i>NbO<sub>3</sub> (<i>X</i> = Li, K, Na, Ag) for Photovoltaic and Energy Storage Applications

Using a microscopic model and Green’s function theory, we have calculated the band gap energy and the polarization of LiNbO<sub>3</sub>, KNbO<sub>3</sub>, AgNbO<sub>3</sub>, and NaNbO<sub>3</sub>. The effects by substitution of different ions at A or/a...

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Bibliographic Details
Main Authors: Iliana N. Apostolova, Angel T. Apostolov, Julia M. Wesselinowa
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:Molecules
Subjects:
<i>X</i>NbO<sub>3</sub>
ion doping
band gap energy
polarization
microscopic model
Online Access:https://www.mdpi.com/1420-3049/29/5/1011

Internet

https://www.mdpi.com/1420-3049/29/5/1011

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