About: Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals

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About: Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The electronic structure of cobalt-phthalocyanine (CoPc) molecules adsorbed on Ag(100) is investigated by photoemission spectroscopy. The results are compared to first-principles electronic structure calculations, based on many-body perturbation theory in the GW approximation. The photoemission data, obtained from both multilayer and monolayer films of CoPc, show that charge transfer occurs between the first molecular layer and the metal surface. Varying the photon energy, to tune the photoionization cross sections, reveals that the charge-transfer-related interface states mainly involve the Co 3d atomic orbitals of the Co central atom. GW calculations for the neutral CoPc molecule and its anion compare well with the experimental observations for a multilayer and a monolayer CoPc film, respectively. They confirm the major role played by the Co atom in the charge-transfer process and elucidate the complex energy rearrangement of the molecular electronic levels upon metal adsorption. The electronic structure of cobalt-phthalocyanine (CoPc) molecules adsorbed on Ag(100) is investigated by photoemission spectroscopy. The results are compared to first-principles electronic structure calculations, based on many-body perturbation theory in the GW approximation. The photoemission data, obtained from both multilayer and monolayer films of CoPc, show that charge transfer occurs between the first molecular layer and the metal surface. Varying the photon energy, to tune the photoionization cross sections, reveals that the charge-transfer-related interface states mainly involve the Co 3d atomic orbitals of the Co central atom. GW calculations for the neutral CoPc molecule and its anion compare well with the experimental observations for a multilayer and a monolayer CoPc film, respectively. They confirm the major role played by the Co atom in the charge-transfer process and elucidate the complex energy rearrangement of the molecular electronic levels upon metal adsorption. (en)
Title	Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals (en)
skos:prefLabel	Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals (en)
skos:notation	RIV/68378271:_____/13:00430046!RIV15-AV0-68378271
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(LG12003)
http://linked.open...iv/cisloPeriodika	7
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Vondráček, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	72433
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/13:00430046
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	cobalt-phthalocyanine; molecule-substrate interaction; photoemission spectroscopy (en)
http://linked.open.../riv/klicoveSlovo	cobalt-phthalocyanine molecule-substrate interaction photoemission spectroscopy
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[D9DD1F381639]
http://linked.open...i/riv/nazevZdroje	Physical Review. B
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Materials science beamline at synchrotron Elettra in Trieste
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	87
http://linked.open...iv/tvurceVysledku	Vondráček, Martin Amsalem, P. Angot, T. Koch, N. Kronik, L. Marom, N. Salomon, E.
http://linked.open...ain/vavai/riv/wos	000314682600006
issn	1098-0121
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1103/PhysRevB.87.075407

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