ACS Omega (Sep 2021)

Relevance of Dispersion and the Electronic Spin in the DFT + U Approach for the Description of Pristine and Defective TiO2 Anatase

  • Ana E. Torres,
  • Janatan Rodríguez-Pineda,
  • Rodolfo Zanella

DOI
https://doi.org/10.1021/acsomega.1c02761
Journal volume & issue
Vol. 6, no. 36
pp. 23170 – 23180

Abstract

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