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Original paper

Size-Dependent Level Alignment between Rutile and Anatase TiO2 Nanoparticles: Implications for Photocatalysis

Volume: 8, Issue: 22, Pages: 5593 - 5598
Published: Oct 24, 2017
Abstract
Motivated by the enormous importance of nanoscale TiO2 in a wide range of photocatalytic applications and the ill-understood high activity of the commercial nano-TiO2 photocatalysts, we provide a predictive map of how the anatase–rutile level alignment varies from the smallest nanoparticles (NPs) to the bulk. Specifically, we compute the size dependence of the energies of vacuum-referenced electronic levels in a range of realistically structured...
Paper Details
Title
Size-Dependent Level Alignment between Rutile and Anatase TiO2 Nanoparticles: Implications for Photocatalysis
Published Date
Oct 24, 2017
Volume
8
Issue
22
Pages
5593 - 5598
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