Photodesorption mechanism of water on WO3(001) – a combined embedded cluster, computational intelligence and wave packet approach
Author:
Affiliation:
1. Department of Chemistry
2. Carl von Ossietzky University Oldenburg
3. 26129 Oldenburg
4. Germany
Abstract
Predicting photodesorption with CASSCF, artificial intelligence and wave packet dynamics.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02809F
Reference44 articles.
1. Dual Oxygen and Tungsten Vacancies on a WO3Photoanode for Enhanced Water Oxidation
2. Oxygen-Deficient Tungsten Oxide as Versatile and Efficient Hydrogenation Catalyst
3. Water Oxidation and Electron Extraction Kinetics in Nanostructured Tungsten Trioxide Photoanodes
4. H2O Adsorption on WO3 and WO3–x (001) Surfaces
5. Tungsten trioxide as a photoanode for a photoelectrochemical cell (PEC)
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