Chemical Review and Letters

Dual surface doping of Co+N in the anatase TiO2(100) for water splitting process

Document Type : Letter to the Editor

Authors

Reza Behjatmanesh-Ardakani 1
Ahlam Moradzadeh 2

1 Department of Chemical Engineering, Faculty of Engineering, Ardakan University

2 Payame Noor University, Ardakan

https://doi.org/10.22034/crl.2024.435210.1278
Abstract
TiO2 photocatalyst by generating electron-hole pairs dissociates the adsorbed water to the reactive oxygen species (ROS) by which environmental pollutants are degraded. There are many experimental and theoretical studies on the band gap reduction of rutile/anatase by single and dual doping of metals and non-metals. In all these works, the dopants are considered to be doped in bulk, and by band gap reduction, the more photocatalytic activity is explained. In this letter, by periodic DFT method, the role of dopants that adsorbed on the surface is studied. To do this, the synergistic effects of Co and N surface doping on the dissociation of water to H+OH radicals are studied.

Keywords

(Co
N) Co-doping
Anatase
Periodic DFT
water dissociation

Subjects

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Chemical Review and Letters
Volume 7, Issue 1 - Serial Number 1
January and February 2024
Pages 17-19

  • Receive Date 11 January 2024
  • Revise Date 25 January 2024
  • Accept Date 31 January 2024

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