Structural and electronic properties of TiO2 from first principles calculations

Sergio Tosoni; Giovanni Di Liberto; Gianfranco Pacchioni

doi:10.1016/b978-0-12-819960-2.00019-5

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Structural and electronic properties of TiO2 from first principles calculations

Sergio Tosoni Giovanni Di Liberto Gianfranco Pacchioni

Year: 2021 Elsevier eBooks Pages: 67-85 Publisher: Elsevier BV

DOI: 10.1016/b978-0-12-819960-2.00019-5

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Keywords:

Delocalized electron Density functional theory Materials science Electronic structure Chemical physics Electron Band gap Statistical physics Nanotechnology Condensed matter physics Computational chemistry Chemistry Physics Optoelectronics Quantum mechanics

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Topics

Catalytic Processes in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Advanced Photocatalysis Techniques

Physical Sciences → Energy → Renewable Energy, Sustainability and the Environment

TiO2 Photocatalysis and Solar Cells

Physical Sciences → Energy → Renewable Energy, Sustainability and the Environment

Structural and electronic properties of TiO2 from first principles calculations

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