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AuthorBartenschlager, Sonjadc.contributor.author
Date of accession2016-03-15T06:23:21Zdc.date.accessioned
Available in OPARU since2016-03-15T06:23:21Zdc.date.available
Year of creation2009dc.date.created
AbstractThis work presents a quantum chemical theory for electrochemical electron transfer reactions. The investigated model system consists of a dimer adsorbed on a metal electrode and surrounded by a solvent. The theory provides insights into the effect of the band structure of the electrode on the electron transfer reaction with simultaneous bond breaking. It is shown that a well-defined, narrow d-band close to the Fermi level significantly reduces the energy of activation for the reaction specified above. Furthermore it was concluded that for a homonuclear dimer a horizontal adsorption is favored, whereas for a heteronuclear dimer it is also possible that a non-horizontal adsorption leads to the lowest energy of activation for the reaction.dc.description.abstract
Languagededc.language.iso
PublisherUniversität Ulmdc.publisher
LicenseStandard (Fassung vom 01.10.2008)dc.rights
Link to license texthttps://oparu.uni-ulm.de/xmlui/license_v2dc.rights.uri
KeywordBindungsbruchdc.subject
Keywordd-Banddc.subject
Dewey Decimal GroupDDC 540 / Chemistry & allied sciencesdc.subject.ddc
LCSHOxidation-reduction reactiondc.subject.lcsh
TitleQuantenmechanische Theorie zur d-Band-Katalyse des elektrochemischen Elektronentransfers mit Bindungsbruchdc.title
Resource typeDissertationdc.type
DOIhttp://dx.doi.org/10.18725/OPARU-1825dc.identifier.doi
PPN616542070dc.identifier.ppn
URNhttp://nbn-resolving.de/urn:nbn:de:bsz:289-vts-71686dc.identifier.urn
GNDElektronentransferdc.subject.gnd
GNDKatalysedc.subject.gnd
GNDQuantenmechanikdc.subject.gnd
GNDTheoriedc.subject.gnd
FacultyFakultät für Naturwissenschaftenuulm.affiliationGeneral
Date of activation2010-01-04T15:28:05Zuulm.freischaltungVTS
Peer reviewneinuulm.peerReview
Shelfmark print versionZ: J-H 13.514; W: W-H 11.948uulm.shelfmark
DCMI TypeTextuulm.typeDCMI
VTS-ID7168uulm.vtsID
CategoryPublikationenuulm.category
University Bibliographyjauulm.unibibliographie


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