Effects of CO2 adsorption on proton migration on a hydrated ZrO2 surface: an ab initio molecular dynamics study
Author:
Affiliation:
1. Department of Materials Engineering
2. The University of Tokyo
3. Tokyo 113-8656
4. Japan
5. Department of Physics
6. Kumamoto University
7. Kumamoto 860-8555
Abstract
Carbonate formation reduces the basicity of surface oxide ions selectively and subsequently reduces the proton hole defects (Zr–OH−).
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP01650F
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4. Electrical conductivity of dense nanocrystalline ceria under humidified atmosphere
5. Application of ZrO2 as a catalyst and a catalyst support
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