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• W3094550279 endingPage "23647" @default.
• W3094550279 startingPage "23637" @default.
• W3094550279 abstract "First-principles calculations of the electronic structure of reduced anatase TiO2 nanoparticles are performed using a hybrid density functional theory approach for an accurate description of charge trapping. It is found that, in the bulk and at extended surfaces, electrons introduced by oxygen vacancies delocalize but, in reduced nanoparticles, electrons preferentially localize (forming Ti3+ species) at low-coordinated sites on the surface of the particle. It is favorable for nanoparticles to be oxygen-deficient in oxygen-poor conditions with the Ti33O66 nanoparticle being significantly easier to reduce than the larger Ti151O302 nanoparticle. Since low-coordinated sites are more prevalent in smaller nanoparticles, this suggests that there is a delicate balance between the number of carriers introduced by vacancies and the number of trapped electrons." @default.
• W3094550279 created "2020-10-29" @default.
• W3094550279 creator A5064262452 @default.
• W3094550279 creator A5070588023 @default.
• W3094550279 creator A5088600905 @default.
• W3094550279 date "2020-10-15" @default.
• W3094550279 modified "2023-10-14" @default.
• W3094550279 title "First-Principles Modeling of Oxygen-Deficient Anatase TiO₂ Nanoparticles" @default.
• W3094550279 cites W1570741980 @default.
• W3094550279 cites W1968755006 @default.
• W3094550279 cites W1969683665 @default.
• W3094550279 cites W1972353225 @default.
• W3094550279 cites W1978766606 @default.
• W3094550279 cites W1980216394 @default.
• W3094550279 cites W1981368803 @default.
• W3094550279 cites W1981420304 @default.
• W3094550279 cites W1981995376 @default.
• W3094550279 cites W1982356449 @default.
• W3094550279 cites W1982952953 @default.
• W3094550279 cites W1989060947 @default.
• W3094550279 cites W1991300868 @default.
• W3094550279 cites W1993898990 @default.
• W3094550279 cites W1998074642 @default.
• W3094550279 cites W1998524463 @default.
• W3094550279 cites W2000770615 @default.
• W3094550279 cites W2004022193 @default.
• W3094550279 cites W2006499645 @default.
• W3094550279 cites W2007508731 @default.
• W3094550279 cites W2009374023 @default.
• W3094550279 cites W2014166972 @default.
• W3094550279 cites W2018552568 @default.
• W3094550279 cites W2019321155 @default.
• W3094550279 cites W2022085321 @default.
• W3094550279 cites W2023390323 @default.
• W3094550279 cites W2025032983 @default.
• W3094550279 cites W2026878491 @default.
• W3094550279 cites W2029697845 @default.
• W3094550279 cites W2032509385 @default.
• W3094550279 cites W2032739858 @default.
• W3094550279 cites W2033172568 @default.
• W3094550279 cites W2034743675 @default.
• W3094550279 cites W2034840846 @default.
• W3094550279 cites W2042492216 @default.
• W3094550279 cites W2045749636 @default.
• W3094550279 cites W2046668457 @default.
• W3094550279 cites W2047331432 @default.
• W3094550279 cites W2048852798 @default.
• W3094550279 cites W2050358908 @default.
• W3094550279 cites W2053320074 @default.
• W3094550279 cites W2067038503 @default.
• W3094550279 cites W2068749308 @default.
• W3094550279 cites W2072841252 @default.
• W3094550279 cites W2074780992 @default.
• W3094550279 cites W2075119294 @default.
• W3094550279 cites W2077303724 @default.
• W3094550279 cites W2078085994 @default.
• W3094550279 cites W2078119797 @default.
• W3094550279 cites W2078184334 @default.
• W3094550279 cites W2079613423 @default.
• W3094550279 cites W2080715375 @default.
• W3094550279 cites W2082536083 @default.
• W3094550279 cites W2085277880 @default.
• W3094550279 cites W2086458318 @default.
• W3094550279 cites W2091434121 @default.
• W3094550279 cites W2094504822 @default.
• W3094550279 cites W2115177063 @default.
• W3094550279 cites W2119607070 @default.
• W3094550279 cites W2148238437 @default.
• W3094550279 cites W2148394834 @default.
• W3094550279 cites W2150687058 @default.
• W3094550279 cites W2151220712 @default.
• W3094550279 cites W2158951976 @default.
• W3094550279 cites W2161948944 @default.
• W3094550279 cites W2166737161 @default.
• W3094550279 cites W2167232985 @default.
• W3094550279 cites W2254418557 @default.
• W3094550279 cites W2313706337 @default.
• W3094550279 cites W2315934713 @default.
• W3094550279 cites W2323839287 @default.
• W3094550279 cites W2323921122 @default.
• W3094550279 cites W2333335030 @default.
• W3094550279 cites W2336910392 @default.
• W3094550279 cites W2529543400 @default.
• W3094550279 cites W2591191984 @default.
• W3094550279 cites W2783694942 @default.
• W3094550279 cites W2791006267 @default.
• W3094550279 cites W2801640437 @default.
• W3094550279 cites W2807378687 @default.
• W3094550279 cites W2883769653 @default.
• W3094550279 cites W2896040585 @default.
• W3094550279 cites W2899839693 @default.
• W3094550279 cites W2933581861 @default.
• W3094550279 cites W2953329326 @default.
• W3094550279 cites W2965306174 @default.
• W3094550279 cites W2979654068 @default.
• W3094550279 cites W2997914529 @default.
• W3094550279 cites W3000433774 @default.
• W3094550279 cites W3006063247 @default.

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