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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...

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Detalles Bibliográficos
Autores principales: Wiebe, Johannes, Spohr, Eckhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2014
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.
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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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