Unveiling the structural, electronic, and optical effects of carbon-doping on multi-layer anatase TiO2 (101) and the impact on photocatalysis

• Main Authors: Mohd. Nor, Nur Umisyuhada, Mazalan, Elham, Chad, Risko, Mark, Crocker, Saidina Amin, Nor Aishah
• Format: Article
• Language: English
• Published: Elsevier B.V. 2022
• Subjects: TP Chemical technology
• Online Access: http://eprints.utm.my/id/eprint/100988/1/NorAishahSaidina2022_UnveilingtheStructuralElectronicandOpticalEffects.pdf; http://eprints.utm.my/id/eprint/100988/; http://dx.doi.org/10.1016/j.apsusc.2022.152641

Carbon-doped (C-doped) TiO2 has demonstrated effective photocatalytic activity in the visible-light region. Here, we make use of density functional theory (DFT) methods to understand the photocatalytic activity of C-doped anatase-TiO2 (1 0 1) surfaces as a function of layer thickness. The formation...