Electronic, Structural, and Optical Properties of Mono-Doped and Co-Doped (210) TiO<sub>2</sub> Brookite Surfaces for Application in Dye-Sensitized Solar Cells—A First Principles Study

Electronic, Structural, and Optical Properties of Mono-Doped and Co-Doped (210) TiO<sub>2</sub> Brookite Surfaces for Application in Dye-Sensitized Solar Cells—A First Principles Study

Titanium dioxide (TiO<sub>2</sub>) polymorphs have recently gained a lot of attention in dye-sensitized solar cells (DSSCs). The brookite polymorph, among other TiO<sub>2</sub> polymorphs, is now becoming the focus of research in DSSC applications, despite the difficulties in...

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Bibliographic Details
Main Authors: Ratshilumela S. Dima, Lutendo Phuthu, Nnditshedzeni E. Maluta, Joseph K. Kirui, Rapela R. Maphanga
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Materials
Subjects:
on-metal
brookite TiO<sub>2</sub>
doping mechanism
optical properties
density functional theory
Online Access:https://www.mdpi.com/1996-1944/14/14/3918

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