000056795 001__ 56795
000056795 005__ 20230426083228.0
000056795 0247_ $$2DOI$$a10.1103/PhysRevB.75.115407
000056795 0247_ $$2WOS$$aWOS:000245329600112
000056795 0247_ $$2Handle$$a2128/7684
000056795 037__ $$aPreJuSER-56795
000056795 041__ $$aeng
000056795 082__ $$a530
000056795 084__ $$2WoS$$aPhysics, Condensed Matter
000056795 1001_ $$0P:(DE-Juel1)130513$$aAtodiresei, N.$$b0$$uFZJ
000056795 245__ $$aDensity-functional theory study on the arrangement of adsorbed formate molecules on Cu(110)
000056795 260__ $$aCollege Park, Md.$$bAPS$$c2007
000056795 300__ $$a115407
000056795 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000056795 3367_ $$2DataCite$$aOutput Types/Journal article
000056795 3367_ $$00$$2EndNote$$aJournal Article
000056795 3367_ $$2BibTeX$$aARTICLE
000056795 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000056795 3367_ $$2DRIVER$$aarticle
000056795 440_0 $$04919$$aPhysical Review B$$v75$$x1098-0121
000056795 500__ $$aRecord converted from VDB: 12.11.2012
000056795 520__ $$aThe interaction of formate molecules with the Cu(110) surface is investigated using density-functional theory calculations. We find that in the most stable structures for low and high coverage, the formate molecules are sitting perpendicular to the Cu(110) surface, and they are adsorbed in a bridge position, i.e., the O-C-O group forms a bridge between two Cu atoms. Other tested configurations are less stable by at least 0.45 eV per formate molecule. In the case of an oxygen-precovered Cu(110) surface with high formate coverage [two molecules in a (2x2) unit cell] we find a very similar adsorption geometry. We find an attractive interaction between adsorbed formate molecules on the copper surface. Our results are consistent with experimental results by scanning tunneling microscopy and photoelectron diffraction.
000056795 536__ $$0G:(DE-Juel1)FUEK412$$2G:(DE-HGF)$$aGrundlagen für zukünftige Informationstechnologien$$cP42$$x0
000056795 542__ $$2Crossref$$i2007-03-09$$uhttp://link.aps.org/licenses/aps-default-license
000056795 588__ $$aDataset connected to Web of Science
000056795 650_7 $$2WoSType$$aJ
000056795 7001_ $$0P:(DE-Juel1)VDB3933$$aSchroeder, K.$$b1$$uFZJ
000056795 7001_ $$0P:(DE-Juel1)130548$$aBlügel, S.$$b2$$uFZJ
000056795 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.75.115407$$bAmerican Physical Society (APS)$$d2007-03-09$$n11$$p115407$$tPhysical Review B$$v75$$x1098-0121$$y2007
000056795 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.75.115407$$gVol. 75, p. 115407$$n11$$p115407$$q75<115407$$tPhysical review / B$$v75$$x1098-0121$$y2007
000056795 8567_ $$uhttp://dx.doi.org/10.1103/PhysRevB.75.115407
000056795 8564_ $$uhttps://juser.fz-juelich.de/record/56795/files/FZJ-56795.pdf$$yOpenAccess$$zPublished final document.
000056795 8564_ $$uhttps://juser.fz-juelich.de/record/56795/files/FZJ-56795.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess
000056795 8564_ $$uhttps://juser.fz-juelich.de/record/56795/files/FZJ-56795.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000056795 8564_ $$uhttps://juser.fz-juelich.de/record/56795/files/FZJ-56795.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000056795 909CO $$ooai:juser.fz-juelich.de:56795$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000056795 9131_ $$0G:(DE-Juel1)FUEK412$$bSchlüsseltechnologien$$kP42$$lGrundlagen für zukünftige Informationstechnologien (FIT)$$vGrundlagen für zukünftige Informationstechnologien$$x0
000056795 9141_ $$y2007
000056795 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000056795 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000056795 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Ag
000056795 9201_ $$0I:(DE-Juel1)VDB381$$d14.09.2008$$gCNI$$kCNI$$lCenter of Nanoelectronic Systems for Information Technology$$x1$$z381
000056795 9201_ $$0I:(DE-Juel1)VDB781$$d31.12.2010$$gIFF$$kIFF-1$$lQuanten-Theorie der Materialien$$x0
000056795 9201_ $$0I:(DE-Juel1)VDB783$$d31.12.2010$$gIFF$$kIFF-3$$lTheorie der Strukturbildung$$x2
000056795 9201_ $$0I:(DE-82)080009_20140620$$gJARA$$kJARA-FIT$$lJülich-Aachen Research Alliance - Fundamentals of Future Information Technology$$x3
000056795 9201_ $$0I:(DE-Juel1)VDB1045$$gJARA$$kJARA-SIM$$lJülich-Aachen Research Alliance - Simulation Sciences$$x4
000056795 970__ $$aVDB:(DE-Juel1)89286
000056795 9801_ $$aFullTexts
000056795 980__ $$aVDB
000056795 980__ $$aConvertedRecord
000056795 980__ $$ajournal
000056795 980__ $$aI:(DE-Juel1)VDB381
000056795 980__ $$aI:(DE-Juel1)PGI-1-20110106
000056795 980__ $$aI:(DE-Juel1)PGI-2-20110106
000056795 980__ $$aI:(DE-82)080009_20140620
000056795 980__ $$aI:(DE-Juel1)VDB1045
000056795 980__ $$aUNRESTRICTED
000056795 980__ $$aJUWEL
000056795 980__ $$aFullTexts
000056795 981__ $$aI:(DE-Juel1)PGI-1-20110106
000056795 981__ $$aI:(DE-Juel1)PGI-2-20110106
000056795 981__ $$aI:(DE-Juel1)VDB1045
000056795 981__ $$aI:(DE-Juel1)VDB881
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S1359-0286(03)00005-6
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0167-5729(03)00015-3
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/ja012021e
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.66.155427
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(83)80033-8
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0920-5861(92)80122-4
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(94)90479-0
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S1381-1169(97)00265-3
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(95)01069-6
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1023/A:1019021431910
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.54.2250
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(88)90608-5
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.55.12888
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(98)00683-9
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(99)00843-2
000056795 999C5 $$1S. Poulston$$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(96)01354-4$$p66 -$$tSurf. Sci.$$v377–379$$y1997
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(99)00605-6
000056795 999C5 $$1J. Phillips$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.susc.2003.07.006$$p1 -$$tSurf. Sci.$$v545$$y2004
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.77.3865
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.78.1396
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.80.891
000056795 999C5 $$1R. Berger$$2Crossref$$oR. Berger Proceedings of the NIC-Workshop Molecular Dynamics on parallel Computers, Jülich, 8–10 February 1999 2000$$tProceedings of the NIC-Workshop Molecular Dynamics on parallel Computers, Jülich, 8–10 February 1999$$y2000
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.48.1425
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.50.17953
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.16.1748
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/ja00097a031
000056795 999C5 $$1D. Feller$$2Crossref$$oD. Feller 1983$$y1983
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(87)80221-2
000056795 999C5 $$1D. W. Bullettt$$2Crossref$$9-- missing cx lookup --$$a10.1016/S0079-6816(87)80018-7$$p275 -$$tProg. Surf. Sci.$$v25$$y1987
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0042-207X(88)90086-3
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1696131
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.476190
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0301-0104(95)00146-F
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.69.245411
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(93)90556-Y
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(98)00591-3
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.464913
000056795 999C5 $$1M. H. Jamroz$$2Crossref$$9-- missing cx lookup --$$a10.1016/S0022-2860(00)00908-X$$p475 -$$tJ. Mol. Struct.$$v565-566$$y2001
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0009-2614(97)01152-4
000056795 999C5 $$1L. A. M. M. Barbarosa$$2Crossref$$9-- missing cx lookup --$$a10.1021/ja004336k$$p6639 -$$tJ. Am. Chem. Soc.$$v124$$y2001
000056795 999C5 $$1B. Hammer$$2Crossref$$oB. Hammer Chemisorption and Reactivity of Supported Clusters and Thin Films 1997$$tChemisorption and Reactivity of Supported Clusters and Thin Films$$y1997
000056795 999C5 $$1R. D. Felice$$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1645789$$p4906 -$$tJ. Chem. Phys.$$v120$$y2003
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.94.236102
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(91)90497-G
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.57.3273
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.41.5420
000056795 999C5 $$1T. Schimizu$$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(93)90178-M$$p1017 -$$tSurf. Sci.$$v295$$y1993
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0038-1098(01)00308-8
000056795 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(03)00788-X
000056795 999C5 $$1I. Fleming$$2Crossref$$oI. Fleming Frontier Orbitals and Organic Chemical Reactions 1978$$tFrontier Orbitals and Organic Chemical Reactions$$y1978