Atomic Structure of Water Monolayer on Anatase TiO2(101) Surface
نویسندگان
چکیده
منابع مشابه
Atomic monolayer deposition on the surface of nanotube mechanical resonators.
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The interaction between water and the TiO2 anatase (101) surface with a subsurface VO is studied using first-principles calculations. Upon water adsorption, the relative stability of the subsurface and surface VO reverses. The surface VO becomes energetically more stable than its subsurface counterpart, which induces VO to migrate from the subsurface to the surface with a very low energy barrie...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2018
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.8b04210