Modeling stoichiometric and oxygen defective TiO2 anatase bulk and (101) surface: structural and electronic properties from hybrid DFT
Author:
Publisher
Springer Science and Business Media LLC
Subject
Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis
Link
https://link.springer.com/content/pdf/10.1007/s00894-023-05584-7.pdf
Reference65 articles.
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3. Ganduglia-Pirovano MV, Hofmann A, Sauer J (2007) Oxygen vacancies in transition metal and rare earth oxides: current state of understanding and remaining challenges. Surf Sci Rep 62:219–270. https://doi.org/10.1016/j.surfrep.2007.03.002
4. Pacchioni G (2008) Modeling doped and defective oxides in catalysis with density functional theory methods: room for improvements. J Chem Phys 128:182505. https://doi.org/10.1063/1.2819245
5. Gunkel F, Christensen DV, Chen YZ, Pryds N (2020) Oxygen vacancies: the (in) visible friend of oxide electronics. Appl Phys Lett 116:120505. https://doi.org/10.1063/1.5143309
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