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dc.contributor.authorWright, Demelza
dc.contributor.authorSangtarash, Sara
dc.contributor.authorMueller, Niclas S
dc.contributor.authorLin, Qianqi
dc.contributor.authorSadeghi, Hatef
dc.contributor.authorBaumberg, Jeremy
dc.date.accessioned2022-05-24T23:30:25Z
dc.date.available2022-05-24T23:30:25Z
dc.date.issued2022-06-09
dc.identifier.issn1948-7185
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/337441
dc.description.abstractMolecules containing vibrational Stark shift reporters provide a useful tool for measuring DC electric fields in situ. To quantify this effect theoretically, density functional theory (DFT) calculations are usually utilized in a uniform electric field. However, using a combined theoretical and experimental study, we demonstrate here that uniform field DFT cannot simultaneously model the behavior of the three strongest vibrational modes in molecules forming a monolayer on an electrode. We show, by directly modeling ionic movement, that the measured Stark shifts are explained by partial electrical double-layer penetration into the molecular layer. This effect is sensitive to the local environment, and the Stark shifts can be fully suppressed experimentally by introducing a mixed molecular layer that prevents ionic double-layer penetration.
dc.publisherAmerican Chemical Society (ACS)
dc.rightsAll Rights Reserved
dc.rights.urihttp://www.rioxx.net/licenses/all-rights-reserved
dc.titleVibrational Stark Effects: Ionic Influence on Local Fields.
dc.typeArticle
dc.publisher.departmentDepartment of Physics
dc.date.updated2022-05-24T10:59:21Z
prism.publicationNameJ Phys Chem Lett
dc.identifier.doi10.17863/CAM.84854
dcterms.dateAccepted2022-05-24
rioxxterms.versionofrecord10.1021/acs.jpclett.2c01048
rioxxterms.versionAM
dc.contributor.orcidWright, Demelza [0000-0002-8854-2714]
dc.contributor.orcidMueller, Niclas S [0000-0002-8688-1974]
dc.contributor.orcidSadeghi, Hatef [0000-0001-5398-8620]
dc.contributor.orcidBaumberg, Jeremy [0000-0002-9606-9488]
dc.identifier.eissn1948-7185
rioxxterms.typeJournal Article/Review
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/L027151/1)
pubs.funder-project-idEuropean Commission Horizon 2020 (H2020) Future and Emerging Technologies (FET) (829067)
pubs.funder-project-idEuropean Commission Horizon 2020 (H2020) Research Infrastructures (RI) (861950)
pubs.funder-project-idEuropean Commission Horizon 2020 (H2020) ERC (883703)
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/L015978/1)
cam.issuedOnline2022-05-27
datacite.issupplementedby.urlhttps://doi.org/10.17863/CAM.84952
cam.orpheus.successMon Jun 13 08:08:18 BST 2022 - Embargo updated
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cam.depositDate2022-05-24
pubs.licence-identifierapollo-deposit-licence-2-1
pubs.licence-display-nameApollo Repository Deposit Licence Agreement
rioxxterms.freetoread.startdate2023-06-09


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