000010248 001__ 10248
000010248 005__ 20200423202753.0
000010248 0247_ $$2DOI$$a10.1103/PhysRevLett.104.036102
000010248 0247_ $$2WOS$$aWOS:000274003100029
000010248 0247_ $$2Handle$$a2128/7242
000010248 037__ $$aPreJuSER-10248
000010248 041__ $$aeng
000010248 082__ $$a550
000010248 084__ $$2WoS$$aPhysics, Multidisciplinary
000010248 1001_ $$0P:(DE-Juel1)VDB93035$$aMercurio, G.$$b0$$uFZJ
000010248 245__ $$aStructure and Energetics of Azobene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches
000010248 260__ $$aCollege Park, Md.$$bAPS$$c2010
000010248 300__ $$a036102
000010248 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000010248 3367_ $$2DataCite$$aOutput Types/Journal article
000010248 3367_ $$00$$2EndNote$$aJournal Article
000010248 3367_ $$2BibTeX$$aARTICLE
000010248 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000010248 3367_ $$2DRIVER$$aarticle
000010248 440_0 $$04925$$aPhysical Review Letters$$v104$$x0031-9007$$y3
000010248 500__ $$aFunding by the DFG through SFB658 and TA244, and computing time within the DEISA Extreme Computing Initiative, is acknowledged. We thank J. Zegenhagen, Y. Mi, O. Neucheva, and S. Mohanty for support.
000010248 520__ $$aWe employ normal-incidence x-ray standing wave and temperature programed desorption spectroscopy to derive the adsorption geometry and energetics of the prototypical molecular switch azobenzene at Ag(111). This allows us to assess the accuracy of semiempirical correction schemes as a computationally efficient means to overcome the deficiency of semilocal density-functional theory with respect to long-range van derWaals (vdW) interactions. The obtained agreement underscores the significant improvement provided by the account of vdW interactions, with remaining differences mainly attributed to the neglect of electronic screening at the metallic surface.
000010248 536__ $$0G:(DE-Juel1)FUEK414$$2G:(DE-HGF)$$aKondensierte Materie$$cP54$$x0
000010248 588__ $$aDataset connected to Web of Science
000010248 650_7 $$2WoSType$$aJ
000010248 7001_ $$0P:(DE-HGF)0$$aMcNellis, E.R.$$b1
000010248 7001_ $$0P:(DE-HGF)0$$aMartin, I.$$b2
000010248 7001_ $$0P:(DE-HGF)0$$aHagen, S.$$b3
000010248 7001_ $$0P:(DE-HGF)0$$aLeyssner, F.$$b4
000010248 7001_ $$0P:(DE-Juel1)VDB73518$$aSoubatch, S.$$b5$$uFZJ
000010248 7001_ $$0P:(DE-HGF)0$$aMeyer, J.$$b6
000010248 7001_ $$0P:(DE-HGF)0$$aWolf, M.$$b7
000010248 7001_ $$0P:(DE-HGF)0$$aTegeder, P.$$b8
000010248 7001_ $$0P:(DE-Juel1)128791$$aTautz, F. S.$$b9$$uFZJ
000010248 7001_ $$0P:(DE-HGF)0$$aReuter, K.$$b10
000010248 773__ $$0PERI:(DE-600)1472655-5$$a10.1103/PhysRevLett.104.036102$$gVol. 104, p. 036102$$p036102$$q104<036102$$tPhysical review letters$$v104$$x0031-9007$$y2010
000010248 8564_ $$uhttps://juser.fz-juelich.de/record/10248/files/FZJ-10248.pdf$$yOpenAccess$$zPublished final document.
000010248 8564_ $$uhttps://juser.fz-juelich.de/record/10248/files/FZJ-10248.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess
000010248 8564_ $$uhttps://juser.fz-juelich.de/record/10248/files/FZJ-10248.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000010248 8564_ $$uhttps://juser.fz-juelich.de/record/10248/files/FZJ-10248.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000010248 909CO $$ooai:juser.fz-juelich.de:10248$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000010248 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000010248 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000010248 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement
000010248 9141_ $$y2010
000010248 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)128791$$aForschungszentrum Jülich$$b9$$kFZJ
000010248 9131_ $$0G:(DE-Juel1)FUEK414$$aDE-HGF$$bMaterie$$kP54$$lKondensierte Materie$$vKondensierte Materie$$x0$$zentfällt   bis 2009
000010248 9201_ $$0I:(DE-Juel1)VDB801$$d31.12.2010$$gIBN$$kIBN-3$$lGrenz- und Oberflächen$$x0
000010248 9201_ $$0I:(DE-82)080009_20140620$$gJARA$$kJARA-FIT$$lJülich-Aachen Research Alliance - Fundamentals of Future Information Technology$$x1
000010248 970__ $$aVDB:(DE-Juel1)120510
000010248 9801_ $$aFullTexts
000010248 980__ $$aVDB
000010248 980__ $$aConvertedRecord
000010248 980__ $$ajournal
000010248 980__ $$aI:(DE-Juel1)PGI-3-20110106
000010248 980__ $$aI:(DE-82)080009_20140620
000010248 980__ $$aUNRESTRICTED
000010248 980__ $$aFullTexts
000010248 981__ $$aI:(DE-Juel1)PGI-3-20110106
000010248 981__ $$aI:(DE-Juel1)VDB881