First Principles Studies of Small Molecular Adsorbates on The Anatase TiO2 (101) Surface

The (101) surface of the anatase polymorph of titanium dioxide (TiO2) has found wide application in (photo-)catalysis due to its unique surface properties. We have studied the nature of active sites and their influence on surface adsorptions, especially in the presence of intrinsic defects. Density...

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Bibliographic Details
Main Author: Hou, Weiyi
Other Authors: Selloni, Annabella
Format: Academic dissertations (Ph.D.)
Language:English
Published: Princeton, NJ : Princeton University 2014
Subjects:
Online Access:http://arks.princeton.edu/ark:/88435/dsp01wd375w44n
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