This Is Auburn

Show simple item record

Communication: Water activation and splitting by single metal-atom anions


Metadata FieldValueLanguage
dc.contributorEvangelos Miliordos; ezm0048@auburn.eduen_US
dc.creatorLiu, Gaoxiang
dc.creatorMiliordos, Evangelos
dc.creatorCiborowski, Sandra M.
dc.creatorTschurl, Martin
dc.creatorBoesl, Ulrich
dc.creatorHeiz, Ulrich
dc.creatorZhang, Xinxing
dc.creatorXantheas, Sotiris S.
dc.creatorBowen, Kit
dc.date.accessioned2020-06-25T12:07:58Z
dc.date.available2020-06-25T12:07:58Z
dc.date.created2018
dc.identifier10.1063/1.5050913en_US
dc.identifier.urihttps://aip-scitation-org.spot.lib.auburn.edu/doi/full/10.1063/1.5050913en_US
dc.identifier.urihttp://hdl.handle.net/11200/49895
dc.description.abstractWe report experimental and computational results pertaining to the activation and splitting of single water molecules by single atomic platinum anions. The anion photoelectron spectra of [Pt(H2O)](-), formed under different conditions, exhibit spectral features that are due to the anion-molecule complex, Pt-(H2O), and to the reaction intermediates, HPtOH- and H2PtO-, in which one and two O-H bonds have been broken, respectively. Additionally, the observations of PtO- and H-2(+) in mass spectra strongly imply that water splitting via the reaction Pt- + H2O -> PtO- + H-2 has occurred. Extending these studies to nickel and palladium shows that they too are able to activate single water molecules, as evidenced by the formation of the reaction intermediates, HNiOH- and HPdOH-. Computations at the coupled cluster singles and doubles with perturbatively connected triples level of theory provide structures and vertical detachment energies (VDEs) for both HMOH- and H2MO- intermediates. The calculated and measured VDE values are in good agreement and thus support their identification. Published by AIP Publishing.en_US
dc.formatPDFen_US
dc.relation.ispartofJournal of Chemical Physicsen_US
dc.relation.ispartofseries0021-9606en_US
dc.rights© 2018. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/en_US
dc.subjectcatalystsen_US
dc.subjectcleavageen_US
dc.subjectgolden_US
dc.subjecthydrogen evolution activityen_US
dc.subjectmethaneen_US
dc.subjectnickelen_US
dc.titleCommunication: Water activation and splitting by single metal-atom anionsen_US
dc.typeCollectionen_US
dc.type.genreJournal Article, Academic Journalen_US
dc.citation.volume149en_US
dc.citation.issue22en_US
dc.citation.spage221101en_US
dc.description.statusPublisheden_US
dc.description.peerreviewYesen_US
dc.creator.orcidhttps://orcid.org/0000-0003-3471-7133en_US

Files in this item

Show simple item record