Home > Publications database > Quantitative Prediction of Molecular Adsorption: Structure and Binding of Benzene on Coinage Metals > print

001     826502
005     20210129225628.0
024 7 _ |2 doi
|a 10.1103/PhysRevLett.115.036104
024 7 _ |2 ISSN
|a 0031-9007
024 7 _ |2 ISSN
|a 1079-7114
024 7 _ |2 ISSN
|a 1092-0145
024 7 _ |2 Handle
|a 2128/13521
024 7 _ |2 WOS
|a WOS:000358034400003
024 7 _ |a altmetric:4288660
|2 altmetric
037 _ _ |a FZJ-2017-00725
082 _ _ |a 550
100 1 _ |0 P:(DE-HGF)0
|a Liu, Wei
|b 0
245 _ _ |a Quantitative Prediction of Molecular Adsorption: Structure and Binding of Benzene on Coinage Metals
260 _ _ |a College Park, Md.
|b APS
|c 2015
336 7 _ |2 DRIVER
|a article
336 7 _ |2 DataCite
|a Output Types/Journal article
336 7 _ |0 PUB:(DE-HGF)16
|2 PUB:(DE-HGF)
|a Journal Article
|b journal
|m journal
|s 1484923356_27106
336 7 _ |2 BibTeX
|a ARTICLE
336 7 _ |2 ORCID
|a JOURNAL_ARTICLE
336 7 _ |0 0
|2 EndNote
|a Journal Article
520 _ _ |a Interfaces between organic molecules and solid surfaces play a prominent role in heterogeneous catalysis, molecular sensors and switches, light-emitting diodes, and photovoltaics. The properties and the ensuing function of such hybrid interfaces often depend exponentially on molecular adsorption heights and binding strengths, calling for well-established benchmarks of these two quantities. Here we present systematic measurements that enable us to quantify the interaction of benzene with the Ag(111) coinage metal substrate with unprecedented accuracy (0.02 Å in the vertical adsorption height and 0.05 eV in the binding strength) by means of normal-incidence x-ray standing waves and temperature-programed desorption techniques. Based on these accurate experimental benchmarks for a prototypical molecule-solid interface, we demonstrate that recently developed first-principles calculations that explicitly account for the nonlocality of electronic exchange and correlation effects are able to determine the structure and stability of benzene on the Ag(111) surface within experimental error bars. Remarkably, such precise experiments and calculations demonstrate that despite different electronic properties of copper, silver, and gold, the binding strength of benzene is equal on the (111) surface of these three coinage metals. Our results suggest the existence of universal binding energy trends for aromatic molecules on surfaces.
536 _ _ |0 G:(DE-HGF)POF3-141
|a 141 - Controlling Electron Charge-Based Phenomena (POF3-141)
|c POF3-141
|f POF III
|x 0
588 _ _ |a Dataset connected to CrossRef
700 1 _ |0 P:(DE-HGF)0
|a Maaß, Friedrich
|b 1
700 1 _ |0 P:(DE-Juel1)142384
|a Willenbockel, Martin
|b 2
700 1 _ |0 P:(DE-HGF)0
|a Bronner, Christopher
|b 3
700 1 _ |0 P:(DE-HGF)0
|a Schulze, Michael
|b 4
700 1 _ |0 P:(DE-HGF)0
|a Soubatch, Serguei
|b 5
700 1 _ |0 P:(DE-Juel1)128791
|a Tautz, F. S.
|b 6
|u fzj
700 1 _ |0 P:(DE-HGF)0
|a Tegeder, Petra
|b 7
700 1 _ |0 P:(DE-HGF)0
|a Tkatchenko, Alexandre
|b 8
|e Corresponding author
773 _ _ |0 PERI:(DE-600)1472655-5
|a 10.1103/PhysRevLett.115.036104
|g Vol. 115, no. 3, p. 036104
|n 3
|p 036104
|t Physical review letters
|v 115
|x 1079-7114
|y 2015
856 4 _ |u https://juser.fz-juelich.de/record/826502/files/PhysRevLett.115.036104.pdf
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826502/files/PhysRevLett.115.036104.gif?subformat=icon
|x icon
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826502/files/PhysRevLett.115.036104.jpg?subformat=icon-1440
|x icon-1440
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826502/files/PhysRevLett.115.036104.jpg?subformat=icon-180
|x icon-180
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826502/files/PhysRevLett.115.036104.jpg?subformat=icon-640
|x icon-640
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826502/files/PhysRevLett.115.036104.pdf?subformat=pdfa
|x pdfa
|y OpenAccess
909 C O |o oai:juser.fz-juelich.de:826502
|p openaire
|p open_access
|p driver
|p VDB
|p dnbdelivery
910 1 _ |0 I:(DE-588b)5008462-8
|6 P:(DE-HGF)0
|a Forschungszentrum Jülich
|b 6
|k FZJ
913 1 _ |0 G:(DE-HGF)POF3-141
|1 G:(DE-HGF)POF3-140
|2 G:(DE-HGF)POF3-100
|a DE-HGF
|l Future Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)
|v Controlling Electron Charge-Based Phenomena
|x 0
|4 G:(DE-HGF)POF
|3 G:(DE-HGF)POF3
|b Energie
914 1 _ |y 2016
915 _ _ |0 LIC:(DE-HGF)CCBY3
|2 HGFVOC
|a Creative Commons Attribution CC BY 3.0
915 _ _ |0 StatID:(DE-HGF)0200
|2 StatID
|a DBCoverage
|b SCOPUS
915 _ _ |0 StatID:(DE-HGF)0600
|2 StatID
|a DBCoverage
|b Ebsco Academic Search
915 _ _ |0 StatID:(DE-HGF)0100
|2 StatID
|a JCR
|b PHYS REV LETT : 2015
915 _ _ |0 StatID:(DE-HGF)9905
|2 StatID
|a IF >= 5
|b PHYS REV LETT : 2015
915 _ _ |0 StatID:(DE-HGF)0150
|2 StatID
|a DBCoverage
|b Web of Science Core Collection
915 _ _ |0 StatID:(DE-HGF)0110
|2 StatID
|a WoS
|b Science Citation Index
915 _ _ |0 StatID:(DE-HGF)0111
|2 StatID
|a WoS
|b Science Citation Index Expanded
915 _ _ |0 StatID:(DE-HGF)0510
|2 StatID
|a OpenAccess
915 _ _ |0 StatID:(DE-HGF)0030
|2 StatID
|a Peer Review
|b ASC
915 _ _ |0 StatID:(DE-HGF)1150
|2 StatID
|a DBCoverage
|b Current Contents - Physical, Chemical and Earth Sciences
915 _ _ |0 StatID:(DE-HGF)0310
|2 StatID
|a DBCoverage
|b NCBI Molecular Biology Database
915 _ _ |0 StatID:(DE-HGF)0300
|2 StatID
|a DBCoverage
|b Medline
915 _ _ |0 StatID:(DE-HGF)0420
|2 StatID
|a Nationallizenz
915 _ _ |0 StatID:(DE-HGF)0199
|2 StatID
|a DBCoverage
|b Thomson Reuters Master Journal List
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)PGI-3-20110106
|k PGI-3
|l Funktionale Nanostrukturen an Oberflächen
|x 0
980 _ _ |a journal
980 _ _ |a VDB
980 _ _ |a UNRESTRICTED
980 _ _ |a I:(DE-Juel1)PGI-3-20110106
980 1 _ |a FullTexts

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21