Reliable and computationally affordable prediction of the energy gap of (TiO 2 ) n (10 ≤ n ≤ 563) nanoparticles from density functional theory

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Authors: Ángel Morales-García, Rosendo Valero, Francesc Illas

Journal title: Physical Chemistry Chemical Physics

Journal number: 20/28

Journal publisher: Royal Society of Chemistry

Published year: 2018

Published pages: 18907-18911

DOI identifier: 10.1039/c8cp03582b

ISSN: 1463-9076