First principles calculations on the stoichiometric and defective (101) anatase surface and upon hydrogen and H2Pc adsorption: The influence of electronic exchange and correlation and of basis set approximations

Ruth Martínez-Casado*, Milica Todorović, Giuseppe Mallia, Nicholas M. Harrison, Rubén Pérez

*Tämän työn vastaava kirjoittaja

Tutkimustuotos: LehtiartikkeliArticleScientificvertaisarvioitu

6 Sitaatiot (Scopus)
107 Lataukset (Pure)

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Physics

Chemistry

Material Science

Biochemistry, Genetics and Molecular Biology