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dc.contributor.authorLimmer, David T.
dc.contributor.authorWillard, Adam P.
dc.contributor.authorMadden, Paul A.
dc.contributor.authorChandler, David
dc.date.accessioned2017-07-05T14:33:41Z
dc.date.available2017-07-05T14:33:41Z
dc.date.issued2015-08
dc.date.submitted2015-08
dc.identifier.issn1932-7447
dc.identifier.issn1932-7455
dc.identifier.urihttp://hdl.handle.net/1721.1/110450
dc.description.abstractWe use molecular dynamics simulations to study the exchange kinetics of water molecules at a model metal electrode surface–exchange between water molecules in the bulk liquid and water molecules bound to the metal. This process is a rare event, with a mean residence time of a bound water of ∼40 ns for the model we consider. With analysis borrowed from the techniques of rare-event sampling, we show how this exchange or desorption is controlled by (1) reorganization of the hydrogen bond network within the adlayer of bound water molecules and (2) interfacial density fluctuations of the bulk liquid adjacent to the adlayer. We define collective coordinates that describe the desorption mechanism. Spatial and temporal correlations associated with a single event extend over nanometers and tens of picoseconds.en_US
dc.description.sponsorshipUnited States. Department of Energy (DE-AC02-05CH11231)en_US
dc.language.isoen_US
dc.publisherAmerican Chemical Society (ACS)en_US
dc.relation.isversionofhttp://dx.doi.org/10.1021/acs.jpcc.5b08137en_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.sourcearXiven_US
dc.titleWater Exchange at a Hydrated Platinum Electrode is Rare and Collectiveen_US
dc.typeArticleen_US
dc.identifier.citationLimmer, David T.; Willard, Adam P.; Madden, Paul A. and Chandler, David. “Water Exchange at a Hydrated Platinum Electrode Is Rare and Collective.” The Journal of Physical Chemistry C 119, 42 (October 2015): 24016–24024 © 2015 American Chemical Societyen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Chemistryen_US
dc.contributor.mitauthorWillard, Adam P.
dc.relation.journalJournal of Physical Chemistry Cen_US
dc.eprint.versionOriginal manuscripten_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/NonPeerRevieweden_US
dspace.orderedauthorsLimmer, David T.; Willard, Adam P.; Madden, Paul A.; Chandler, Daviden_US
dspace.embargo.termsNen_US
mit.licensePUBLISHER_POLICYen_US


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