Adsorption of CuSO₄ on Anatase TiO₂ (101) Surface: A DFT Study

The rapid growth of industrial activities has increased environmental pollution, and solar-driven heterogeneous photocatalysis using TiO₂ has emerged as a promising solution. However, its wide band gap limits its efficiency, prompting research into various optimization strateg...

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Bibliographic Details

Published in:	Inorganics
Main Authors:	Frank Maldonado, Darwin Castillo, Silvio Aguilar, Javier Carrión, Aramis Sánchez
Format:	Article
Language:	English
Published:	MDPI AG 2025-04-01
Subjects:	TiO<sub>2</sub> (101) CuSO<sub>4</sub> DFT + <i>U</i> vdW chemisorption surface
Online Access:	https://www.mdpi.com/2304-6740/13/4/114