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Double layer effects in a model of proton discharge on charged electrodes
We report first results on double layer effects on proton discharge reactions from aqueous solutions to charged platinum electrodes. We have extended a recently developed combined proton transfer/proton discharge model on the basis of empirical valence bond theory to include specifically adsorbed so...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Beilstein-Institut
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4143088/ https://www.ncbi.nlm.nih.gov/pubmed/25161833 http://dx.doi.org/10.3762/bjnano.5.111 |
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author | Wiebe, Johannes Spohr, Eckhard |
author_facet | Wiebe, Johannes Spohr, Eckhard |
author_sort | Wiebe, Johannes |
collection | PubMed |
description | We report first results on double layer effects on proton discharge reactions from aqueous solutions to charged platinum electrodes. We have extended a recently developed combined proton transfer/proton discharge model on the basis of empirical valence bond theory to include specifically adsorbed sodium cations and chloride anions. For each of four studied systems 800–1000 trajectories of a discharging proton were integrated by molecular dynamics simulations until discharge occurred. The results show significant influences of ion presence on the average behavior of protons prior to the discharge event. Rationalization of the observed behavior cannot be based solely on the electrochemical potential (or surface charge) but needs to resort to the molecular details of the double layer structure. |
format | Online Article Text |
id | pubmed-4143088 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | Beilstein-Institut |
record_format | MEDLINE/PubMed |
spelling | pubmed-41430882014-08-26 Double layer effects in a model of proton discharge on charged electrodes Wiebe, Johannes Spohr, Eckhard Beilstein J Nanotechnol Full Research Paper We report first results on double layer effects on proton discharge reactions from aqueous solutions to charged platinum electrodes. We have extended a recently developed combined proton transfer/proton discharge model on the basis of empirical valence bond theory to include specifically adsorbed sodium cations and chloride anions. For each of four studied systems 800–1000 trajectories of a discharging proton were integrated by molecular dynamics simulations until discharge occurred. The results show significant influences of ion presence on the average behavior of protons prior to the discharge event. Rationalization of the observed behavior cannot be based solely on the electrochemical potential (or surface charge) but needs to resort to the molecular details of the double layer structure. Beilstein-Institut 2014-07-07 /pmc/articles/PMC4143088/ /pubmed/25161833 http://dx.doi.org/10.3762/bjnano.5.111 Text en Copyright © 2014, Wiebe and Spohr https://creativecommons.org/licenses/by/2.0https://www.beilstein-journals.org/bjnano/termsThis is an Open Access article under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The license is subject to the Beilstein Journal of Nanotechnology terms and conditions: (https://www.beilstein-journals.org/bjnano/terms) |
spellingShingle | Full Research Paper Wiebe, Johannes Spohr, Eckhard Double layer effects in a model of proton discharge on charged electrodes |
title | Double layer effects in a model of proton discharge on charged electrodes |
title_full | Double layer effects in a model of proton discharge on charged electrodes |
title_fullStr | Double layer effects in a model of proton discharge on charged electrodes |
title_full_unstemmed | Double layer effects in a model of proton discharge on charged electrodes |
title_short | Double layer effects in a model of proton discharge on charged electrodes |
title_sort | double layer effects in a model of proton discharge on charged electrodes |
topic | Full Research Paper |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4143088/ https://www.ncbi.nlm.nih.gov/pubmed/25161833 http://dx.doi.org/10.3762/bjnano.5.111 |
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