000155068 001__ 155068
000155068 005__ 20210129214013.0
000155068 0247_ $$2doi$$a10.1088/0953-8984/26/26/263001
000155068 0247_ $$2ISSN$$a1361-648X
000155068 0247_ $$2ISSN$$a0953-8984
000155068 0247_ $$2WOS$$aWOS:000337349200002
000155068 037__ $$aFZJ-2014-04253
000155068 082__ $$a530
000155068 1001_ $$0P:(DE-HGF)0$$aLazić, Predrag$$b0$$eCorresponding Author
000155068 245__ $$aFirst-principles insights into the electronic and magnetic structure of hybrid organic-metal interfaces
000155068 260__ $$aBristol$$bIOP Publ.$$c2014
000155068 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1408342123_26576
000155068 3367_ $$2DataCite$$aOutput Types/Journal article
000155068 3367_ $$00$$2EndNote$$aJournal Article
000155068 3367_ $$2BibTeX$$aARTICLE
000155068 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000155068 3367_ $$2DRIVER$$aarticle
000155068 520__ $$aIn this review we summarize our experience gained from several recent ab initio studies aimed to investigate how the competition between short-ranged chemical and long-ranged dispersion interactions determines the bonding mechanism of a specific set of chemically functionalized π-conjugated organic molecules on non-magnetic and magnetic metal surfaces. A key point of this review is to provide a detailed analysis on the issue of how to tune the strength of the organic molecule-surface interaction, such that the nature of the molecular bonding exhibits the specific electronic features of the physisorption or chemisorption bonding mechanisms. In particular, we discuss in detail how the precise control of these bonding mechanisms can be used to design specific electronic and magnetic properties of hybrid organic-metallic interfaces. Furthermore, our first-principles simulations provide not only the basic insights needed to interpret surface-science experiments, but are also a key tool to design organic-substrate systems with tailored properties that can be integrated into future organic-based devices for molecular electronics and molecular spintronics applications.
000155068 536__ $$0G:(DE-HGF)POF2-422$$a422 - Spin-based and quantum information (POF2-422)$$cPOF2-422$$fPOF II$$x0
000155068 588__ $$aDataset connected to CrossRef, juser.fz-juelich.de
000155068 7001_ $$0P:(DE-Juel1)130583$$aCaciuc, Vasile$$b1$$ufzj
000155068 7001_ $$0P:(DE-Juel1)130513$$aAtodiresei, Nicolae$$b2$$ufzj
000155068 7001_ $$0P:(DE-Juel1)142375$$aCallsen, Martin$$b3$$ufzj
000155068 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b4$$ufzj
000155068 773__ $$0PERI:(DE-600)1472968-4$$a10.1088/0953-8984/26/26/263001$$gVol. 26, no. 26, p. 263001 -$$n26$$p263001$$tJournal of physics / Condensed matter$$v26$$x1361-648X$$y2014
000155068 8564_ $$uhttps://juser.fz-juelich.de/record/155068/files/FZJ-2014-04253.pdf$$yRestricted
000155068 909CO $$ooai:juser.fz-juelich.de:155068$$pVDB
000155068 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130583$$aForschungszentrum Jülich GmbH$$b1$$kFZJ
000155068 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130513$$aForschungszentrum Jülich GmbH$$b2$$kFZJ
000155068 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)142375$$aForschungszentrum Jülich GmbH$$b3$$kFZJ
000155068 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130548$$aForschungszentrum Jülich GmbH$$b4$$kFZJ
000155068 9132_ $$0G:(DE-HGF)POF3-142$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$aDE-HGF$$bForschungsbereich Energie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Spin-Based Phenomena$$x0
000155068 9132_ $$0G:(DE-HGF)POF3-143$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$aDE-HGF$$bForschungsbereich Energie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Configuration-Based Phenomena$$x1
000155068 9131_ $$0G:(DE-HGF)POF2-422$$1G:(DE-HGF)POF2-420$$2G:(DE-HGF)POF2-400$$3G:(DE-HGF)POF2$$4G:(DE-HGF)POF$$aDE-HGF$$bSchlüsseltechnologien$$lGrundlagen zukünftiger Informationstechnologien$$vSpin-based and quantum information$$x0
000155068 9141_ $$y2014
000155068 915__ $$0StatID:(DE-HGF)0010$$2StatID$$aJCR/ISI refereed
000155068 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR
000155068 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000155068 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000155068 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000155068 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000155068 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000155068 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000155068 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz
000155068 915__ $$0StatID:(DE-HGF)1020$$2StatID$$aDBCoverage$$bCurrent Contents - Social and Behavioral Sciences
000155068 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x0
000155068 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x1
000155068 980__ $$ajournal
000155068 980__ $$aVDB
000155068 980__ $$aI:(DE-Juel1)IAS-1-20090406
000155068 980__ $$aI:(DE-Juel1)PGI-1-20110106
000155068 980__ $$aUNRESTRICTED
000155068 981__ $$aI:(DE-Juel1)PGI-1-20110106