Enhancing gas sensing and optoelectronic properties of rutile TiO 2 via transition metal doping: a DFT + U study

RSC Advances 2026 Open access

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Authors: Lemma Tirfie Zegbreal, Newayemedhin Aberra, David E. Motaung, S. Z. Werta, Fekadu Gashaw Hone
DOI: 10.1039/d5ra08889e
Cited by: 7
References: 48

Abstract

This research employs DFT + U calculations to investigate the impact of doping with Co, Ni, Cu, and Zn on the structural, electronic, optical, and gas sensing characteristics of rutile TiO 2 .

Fields of Study & Subjects

Copper-based nanomaterials and applications Gas Sensing Nanomaterials and Sensors ZnO doping and properties

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
4
Pages
3325–3337
Publication date
1 January 2026
Language
EN