article · Computational Materials Science

Impact of oxygen vacancies on the electronic, optical, and gas sensing properties of rutile and anatase TiO2: a DFT + U investigation of bulk stability and facet dependent reactivity

2026University of the Free State

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Research topics

TiO2 Photocatalysis and Solar Cells
Gas Sensing Nanomaterials and Sensors
ZnO doping and properties

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DOI: 10.1016/j.commatsci.2026.114844

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