Accepted Chem Phy Lett 1-s2.0-S0009261416302639-main.pdf (1.12 MB)
Download fileNew insights into electrocatalytic ozone generation via splitting of water over PbO2 electrode: A DFT study
journal contribution
posted on 2016-05-26, 14:10 authored by Gregory Gibson, Ashley Morgan, Peijun Hu, Wen-Feng LinWen-Feng Lin© 2016 Elsevier B.V. All rights reserved. The viable mechanisms for O3 generation via the electrocatalytic splitting of H2O over β-PbO2 catalyst were identified through Density Functional Theory calculations. H2O adsorbed onto the surface was oxidized to form OH then O; the latter reacted with a surface bridging O to form O2 which in turn reacted with another surface O to form O3. The final step of the mechanisms occurs via an Eley-Rideal style interaction where surface O2 desorbs and then attacks the surface bridging oxygen, forming O3. A different reaction pathway via an O3H intermediate was found less favoured both thermodynamically and kinetically.
History
School
- Aeronautical, Automotive, Chemical and Materials Engineering
Department
- Chemical Engineering
Published in
Chemical Physics LettersVolume
654Pages
46 - 51Citation
GIBSON, G. ...et al., 2016. New insights into electrocatalytic ozone generation via splitting of water over PbO2 electrode: A DFT study. Chemical Physics Letters, 654, pp. 46-51.Publisher
© ElsevierVersion
- AM (Accepted Manuscript)
Publisher statement
This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/Publication date
2016Notes
This paper was accepted for publication in the journal Chemical Physics Letters and the definitive published version is available at http://dx.doi.org/10.1016/j.cplett.2016.04.078ISSN
0009-2614Publisher version
Language
- en