Optimizing PEGylation of TiO2 Nanocrystals through a Combined Experimental and Computational Study
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چکیده
منابع مشابه
A combined experimental and computational study on the adsorption and reactions of NO on rutile TiO2.
In this work we combined computational density functional theory with experimental infrared spectroscopy to determine the adsorbate structure of NO and its reaction products N(2)O(2), N(2)O, and NO(2) on rutile TiO(2). These reactions are important for the photo-catalytic reduction of NO in exhaust gas, but yet little is known about the mechanisms or the intermediates involved. The combination ...
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ژورنال
عنوان ژورنال: Chemistry of Materials
سال: 2019
ISSN: 0897-4756,1520-5002
DOI: 10.1021/acs.chemmater.9b02329