Atomistic modulating of structural, elastic, and optoelectronic behavior of pure TiO2 and Fe/TiO2 for photoelectrochemical water splitting application

Atomistic modulating of structural, elastic, and optoelectronic behavior of pure TiO2 and Fe/TiO2 for photoelectrochemical water splitting application

Titanium dioxide (TiO2) has attracted much attention because of their desirable physicochemical properties especially in the water splitting process. In this work pure and Fe-doped TiO2 compounds are studies theoretically with the help of Generalized Gradient Approximation with the revised Pardew–Bu...

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Bibliographic Details
Main Authors: Junaid Khan, Matiullah Khan, Waqar Uddin, Paghunda, Fida Rehman, Abdul Hakim Shah, Atta Ur Rahman, Zeshan Ahmad
Format: Article
Language:English
Published: Elsevier 2024-07-01
Series:Results in Optics
Subjects:
DFT
TiO2
Fe-Doped TiO2
Band Structure
Optical
Magnetics and Elastic properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2666950124001275

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http://www.sciencedirect.com/science/article/pii/S2666950124001275

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