dc.contributor.author
Kulesza, Alexander
dc.contributor.author
Mitric, Roland
dc.contributor.author
Bonačić-Koutecký, Vlasta
dc.date.accessioned
2018-06-08T03:33:13Z
dc.date.available
2014-03-10T17:59:41.769Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/15428
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-19616
dc.description.abstract
We present the theoretical investigation of structural and optical properties
of silver and gold cluster–dipeptide hybrids bound to the FS defect of the MgO
(100) surface. We use DFT and its TDDFT variant combined with the polarizable
embedded cluster model for the description of the extended MgO environment. As
model peptide we have chosen CysTrp since the cysteine residue interacts
strongly with metal particles through the sulfur atom and tryptophan is the
most important chromophoric amino acid. Our results show that in the case of
CysTrp bound to the supported Ag4 cluster an intense optical signal arises at
400 nm. In contrast, in the case of gold no strongly localized absorption is
present since the optical response of supported gold–peptide hybrids is
dominated by a large number of low intensity d-electron excitations spread
over a broad energy range. Such a localized optical signal which is present in
supported silver hybrids can be exploited for the optical detection of
peptides and thus can serve as basis for the development of biosensing
materials.
de
dc.rights.uri
http://www.rsc.org/AboutUs/Copyright/Authordeposition.asp
dc.subject.ddc
500 Naturwissenschaften und Mathematik::530 Physik
dc.title
Theoretical study of structural and optical properties of noble metal
cluster–dipeptide hybrids at defect centers of MgO
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation
Physical Chemistry Chemical Physics. - 14 (2012), 26, S.9330-9335
dc.identifier.sepid
25389
dcterms.bibliographicCitation.doi
10.1039/c2cp23500e
dcterms.bibliographicCitation.url
http://xlink.rsc.org/?DOI=c2cp23500e
refubium.affiliation
Physik
de
refubium.affiliation.other
Institut für Theoretische Physik

refubium.mycore.fudocsId
FUDOCS_document_000000019613
refubium.resourceType.isindependentpub
no
refubium.mycore.derivateId
FUDOCS_derivate_000000003576
dcterms.accessRights.openaire
open access
dcterms.isPartOf.issn
1463-9076