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Role of Surface Stress on the Reactivity of Anatase TiO2(001)

TitleRole of Surface Stress on the Reactivity of Anatase TiO2(001)
Publication TypeJournal Article
Year of Publication2017
AuthorsShi, YL, Sun, HJ, Saidi, WA, Nguyen, MC, Wang, CZ, Ho, KM, Yang, JL, Zhao, J
JournalJournal of Physical Chemistry Letters
Date Published04
Type of ArticleArticle
ISBN Number1948-7185
Accession NumberWOS:000400042200010
Keywordscatalysts, chemistry, exposed 001 facets, initio molecular-dynamics, Materials Science, nanosheets, o-2 adsorption, oxygen, physics, science, strain control, Technology - Other Topics, tio2 photocatalysis, titanium-dioxide

surface with few defects is essential to improve the reactivity, which can be achieved, for example, via H2O adsorption. Our study provides a uniform interpretation of controversial experimental observations and theoretical predictions on anatase TiO2(001) surface and further proposes new insights into the origin of surface reactivity.

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Exploratory Theory

Alternate JournalJ. Phys. Chem. Lett.