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When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO 2 Nanoparticles in the 1–6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations
Lamiel-Garcia, Oriol, Ko, Kyoung Chul, Lee, Jin Yong, Bromley, Stefan T., Illas, FrancescVolume:
13
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00085
Date:
April, 2017
File:
PDF, 1.57 MB
english, 2017