Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT
Author:
Affiliation:
1. Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via Cozzi 55, 20125 Milano, Italy
Funder
H2020 European Research Council (ERC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4994165
Reference67 articles.
1. Titanium Dioxide Nanomaterials for Photovoltaic Applications
2. Solid-state dye-sensitized and bulk heterojunction solar cells using TiO2 and ZnO nanostructures: recent progress and new concepts at the borderline
3. Dye-Sensitized Solar Cells
4. Understanding TiO2 Photocatalysis: Mechanisms and Materials
5. Titanium Dioxide-Based Nanomaterials for Photocatalytic Fuel Generations
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