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- W2045536465 abstract "First principles simulations are carried out to investigate the structure and stability of the rutile TiO2(011) surface in contact with liquid water. Whereas this surface exhibits a (2×1) reconstruction in vacuo, our results show that the interaction with water leads to an inversion of the stabilities of the reconstructed and unreconstructed surfaces. This indicates that surface structures determined in vacuo or at low water coverages are not generally representative of those occurring in the aqueous environments typical of most photocatalytic applications of TiO2." @default.
- W2045536465 created "2016-06-24" @default.
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- W2045536465 date "2011-04-20" @default.
- W2045536465 modified "2023-10-16" @default.
- W2045536465 title "Structure of the Rutile<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mi>TiO</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mo stretchy=false>(</mml:mo><mml:mn>011</mml:mn><mml:mo stretchy=false>)</mml:mo></mml:math>Surface in an Aqueous Environment" @default.
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- W2045536465 doi "https://doi.org/10.1103/physrevlett.106.166102" @default.
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