Molecular switches from benzene derivatives adsorbed on metal surfaces View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2013-12

AUTHORS

Wei Liu, Sergey N. Filimonov, Javier Carrasco, Alexandre Tkatchenko

ABSTRACT

Transient precursor states are often experimentally observed for molecules adsorbing on surfaces. However, such precursor states are typically rather short-lived, quickly yielding to more stable adsorption configurations. Here we employ first-principles calculations to systematically explore the interaction mechanism for benzene derivatives on metal surfaces, enabling us to selectively tune the stability and the barrier between two metastable adsorption states. In particular, in the case of the tetrachloropyrazine molecule, two equally stable adsorption states are identified with a moderate and conceivably reversible barrier between them. We address the feasibility of experimentally detecting the predicted bistable behaviour and discuss its potential usefulness in a molecular switch. More... »

PAGES

2569

References to SciGraph publications

  • 2007-11. Nanoelectronics from the bottom up in NATURE MATERIALS
  • 2012-10. Metal/molecule interfaces: Dispersion forces unveiled in NATURE MATERIALS
  • 2012-04. Imaging the charge distribution within a single molecule in NATURE NANOTECHNOLOGY
  • 2007-11. Nanoionics-based resistive switching memories in NATURE MATERIALS
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1038/ncomms3569

    DOI

    http://dx.doi.org/10.1038/ncomms3569

    DIMENSIONS

    https://app.dimensions.ai/details/publication/pub.1025903133

    PUBMED

    https://www.ncbi.nlm.nih.gov/pubmed/24157660


    Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
    Incoming Citations Browse incoming citations for this publication using opencitations.net

    JSON-LD is the canonical representation for SciGraph data.

    TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

    [
      {
        "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
        "about": [
          {
            "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0306", 
            "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
            "name": "Physical Chemistry (incl. Structural)", 
            "type": "DefinedTerm"
          }, 
          {
            "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
            "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
            "name": "Chemical Sciences", 
            "type": "DefinedTerm"
          }
        ], 
        "author": [
          {
            "affiliation": {
              "alternateName": "Fritz Haber Institute of the Max Planck Society", 
              "id": "https://www.grid.ac/institutes/grid.418028.7", 
              "name": [
                "Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Liu", 
            "givenName": "Wei", 
            "id": "sg:person.01047077451.47", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01047077451.47"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Tomsk State University", 
              "id": "https://www.grid.ac/institutes/grid.77602.34", 
              "name": [
                "Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany", 
                "Department of Physics, Tomsk State University, 634050 Tomsk, Russia"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Filimonov", 
            "givenName": "Sergey N.", 
            "id": "sg:person.01045036572.84", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01045036572.84"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "CIC energigune", 
              "id": "https://www.grid.ac/institutes/grid.424082.8", 
              "name": [
                "Instituto de Cat\u00e1lisis y Petroleoqu\u00edmica, CSIC, Marie Curie 2, E-28049 Madrid, Spain", 
                "CIC Energigune, Albert Einstein 48, 01510 Mi\u00f1ano (\u00c1lava), Spain"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Carrasco", 
            "givenName": "Javier", 
            "id": "sg:person.01042707275.51", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01042707275.51"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Fritz Haber Institute of the Max Planck Society", 
              "id": "https://www.grid.ac/institutes/grid.418028.7", 
              "name": [
                "Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Tkatchenko", 
            "givenName": "Alexandre", 
            "id": "sg:person.01233627233.36", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01233627233.36"
            ], 
            "type": "Person"
          }
        ], 
        "citation": [
          {
            "id": "https://doi.org/10.1103/physrevb.86.245405", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1000209741"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevb.86.245405", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1000209741"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.102.073005", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1001357972"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.102.073005", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1001357972"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1126/science.1144366", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1005377848"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/0039-6028(91)90830-l", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1006581725"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/0039-6028(91)90830-l", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1006581725"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1002/sia.2645", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1009557147"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1002/anie.201205718", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1010244294"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/j.progsurf.2011.05.002", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1010312459"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/0022-3697(57)90054-9", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1010441773"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/0022-3697(57)90054-9", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1010441773"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/j.cpc.2009.06.022", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1016063950"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1038/nmat2023", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1016486670", 
              "https://doi.org/10.1038/nmat2023"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/j.progsurf.2007.09.001", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1021041170"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1088/0953-8984/22/2/022201", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1021949538"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1088/0953-8984/22/2/022201", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1021949538"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1063/1.4773901", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1022448525"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1038/nmat2028", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1036680225", 
              "https://doi.org/10.1038/nmat2028"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/jz300968m", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1038076992"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1039/c1cc11578b", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1041222299"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1524/zkri.220.5.567.65075", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1043574940"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.108.146103", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1043820130"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.108.146103", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1043820130"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/s0167-5729(00)00002-9", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1045168674"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/s0927-0256(03)00111-3", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1045511032"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/s0927-0256(03)00111-3", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1045511032"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1002/smll.201101967", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1049782767"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1038/nnano.2012.20", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1050300004", 
              "https://doi.org/10.1038/nnano.2012.20"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1038/nmat3436", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1051888745", 
              "https://doi.org/10.1038/nmat3436"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.92.246401", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1052519808"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.92.246401", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1052519808"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1002/anie.201208596", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1053694542"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/ja800286k", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1055857759"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/ja800286k", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1055857759"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/jp040159o", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1056055631"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/jp040159o", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1056055631"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/nl0601379", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1056216620"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/nl0601379", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1056216620"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/nl2041113", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1056219119"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1063/1.1564060", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1057720612"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1063/1.2901877", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1057880412"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1063/1.467943", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1058045944"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1088/1367-2630/15/5/053046", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1059136137"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrev.44.423", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060447553"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrev.44.423", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060447553"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevb.13.2270", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060520783"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevb.13.2270", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060520783"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevb.54.11169", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060581262"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevb.54.11169", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060581262"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevb.59.1758", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060591374"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevb.59.1758", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060591374"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.104.036102", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060756509"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.104.036102", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060756509"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.109.076102", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060760195"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.109.076102", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060760195"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.50.1998", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060788637"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.50.1998", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060788637"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.77.3865", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060814179"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.77.3865", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060814179"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.96.156106", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060832127"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1103/physrevlett.96.156106", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1060832127"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1126/science.279.5350.542", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1062559396"
            ], 
            "type": "CreativeWork"
          }
        ], 
        "datePublished": "2013-12", 
        "datePublishedReg": "2013-12-01", 
        "description": "Transient precursor states are often experimentally observed for molecules adsorbing on surfaces. However, such precursor states are typically rather short-lived, quickly yielding to more stable adsorption configurations. Here we employ first-principles calculations to systematically explore the interaction mechanism for benzene derivatives on metal surfaces, enabling us to selectively tune the stability and the barrier between two metastable adsorption states. In particular, in the case of the tetrachloropyrazine molecule, two equally stable adsorption states are identified with a moderate and conceivably reversible barrier between them. We address the feasibility of experimentally detecting the predicted bistable behaviour and discuss its potential usefulness in a molecular switch. ", 
        "genre": "research_article", 
        "id": "sg:pub.10.1038/ncomms3569", 
        "inLanguage": [
          "en"
        ], 
        "isAccessibleForFree": true, 
        "isPartOf": [
          {
            "id": "sg:journal.1043282", 
            "issn": [
              "2041-1723"
            ], 
            "name": "Nature Communications", 
            "type": "Periodical"
          }, 
          {
            "issueNumber": "1", 
            "type": "PublicationIssue"
          }, 
          {
            "type": "PublicationVolume", 
            "volumeNumber": "4"
          }
        ], 
        "name": "Molecular switches from benzene derivatives adsorbed on metal surfaces", 
        "pagination": "2569", 
        "productId": [
          {
            "name": "readcube_id", 
            "type": "PropertyValue", 
            "value": [
              "7b675794bea38a905d4c93d46bf9102d996a61a27d35ad9a02b0c6bbdd47c472"
            ]
          }, 
          {
            "name": "pubmed_id", 
            "type": "PropertyValue", 
            "value": [
              "24157660"
            ]
          }, 
          {
            "name": "nlm_unique_id", 
            "type": "PropertyValue", 
            "value": [
              "101528555"
            ]
          }, 
          {
            "name": "doi", 
            "type": "PropertyValue", 
            "value": [
              "10.1038/ncomms3569"
            ]
          }, 
          {
            "name": "dimensions_id", 
            "type": "PropertyValue", 
            "value": [
              "pub.1025903133"
            ]
          }
        ], 
        "sameAs": [
          "https://doi.org/10.1038/ncomms3569", 
          "https://app.dimensions.ai/details/publication/pub.1025903133"
        ], 
        "sdDataset": "articles", 
        "sdDatePublished": "2019-04-10T23:37", 
        "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
        "sdPublisher": {
          "name": "Springer Nature - SN SciGraph project", 
          "type": "Organization"
        }, 
        "sdSource": "s3://com-uberresearch-data-dimensions-target-20181106-alternative/cleanup/v134/2549eaecd7973599484d7c17b260dba0a4ecb94b/merge/v9/a6c9fde33151104705d4d7ff012ea9563521a3ce/jats-lookup/v90/0000000001_0000000264/records_8693_00000587.jsonl", 
        "type": "ScholarlyArticle", 
        "url": "https://www.nature.com/articles/ncomms3569"
      }
    ]
     

    Download the RDF metadata as:  json-ld nt turtle xml License info

    HOW TO GET THIS DATA PROGRAMMATICALLY:

    JSON-LD is a popular format for linked data which is fully compatible with JSON.

    curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1038/ncomms3569'

    N-Triples is a line-based linked data format ideal for batch operations.

    curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1038/ncomms3569'

    Turtle is a human-readable linked data format.

    curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1038/ncomms3569'

    RDF/XML is a standard XML format for linked data.

    curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1038/ncomms3569'


     

    This table displays all metadata directly associated to this object as RDF triples.

    230 TRIPLES      21 PREDICATES      72 URIs      21 LITERALS      9 BLANK NODES

    Subject Predicate Object
    1 sg:pub.10.1038/ncomms3569 schema:about anzsrc-for:03
    2 anzsrc-for:0306
    3 schema:author N4713d649797b4d7bb67ecccf1f9dc2d0
    4 schema:citation sg:pub.10.1038/nmat2023
    5 sg:pub.10.1038/nmat2028
    6 sg:pub.10.1038/nmat3436
    7 sg:pub.10.1038/nnano.2012.20
    8 https://doi.org/10.1002/anie.201205718
    9 https://doi.org/10.1002/anie.201208596
    10 https://doi.org/10.1002/sia.2645
    11 https://doi.org/10.1002/smll.201101967
    12 https://doi.org/10.1016/0022-3697(57)90054-9
    13 https://doi.org/10.1016/0039-6028(91)90830-l
    14 https://doi.org/10.1016/j.cpc.2009.06.022
    15 https://doi.org/10.1016/j.progsurf.2007.09.001
    16 https://doi.org/10.1016/j.progsurf.2011.05.002
    17 https://doi.org/10.1016/s0167-5729(00)00002-9
    18 https://doi.org/10.1016/s0927-0256(03)00111-3
    19 https://doi.org/10.1021/ja800286k
    20 https://doi.org/10.1021/jp040159o
    21 https://doi.org/10.1021/jz300968m
    22 https://doi.org/10.1021/nl0601379
    23 https://doi.org/10.1021/nl2041113
    24 https://doi.org/10.1039/c1cc11578b
    25 https://doi.org/10.1063/1.1564060
    26 https://doi.org/10.1063/1.2901877
    27 https://doi.org/10.1063/1.467943
    28 https://doi.org/10.1063/1.4773901
    29 https://doi.org/10.1088/0953-8984/22/2/022201
    30 https://doi.org/10.1088/1367-2630/15/5/053046
    31 https://doi.org/10.1103/physrev.44.423
    32 https://doi.org/10.1103/physrevb.13.2270
    33 https://doi.org/10.1103/physrevb.54.11169
    34 https://doi.org/10.1103/physrevb.59.1758
    35 https://doi.org/10.1103/physrevb.86.245405
    36 https://doi.org/10.1103/physrevlett.102.073005
    37 https://doi.org/10.1103/physrevlett.104.036102
    38 https://doi.org/10.1103/physrevlett.108.146103
    39 https://doi.org/10.1103/physrevlett.109.076102
    40 https://doi.org/10.1103/physrevlett.50.1998
    41 https://doi.org/10.1103/physrevlett.77.3865
    42 https://doi.org/10.1103/physrevlett.92.246401
    43 https://doi.org/10.1103/physrevlett.96.156106
    44 https://doi.org/10.1126/science.1144366
    45 https://doi.org/10.1126/science.279.5350.542
    46 https://doi.org/10.1524/zkri.220.5.567.65075
    47 schema:datePublished 2013-12
    48 schema:datePublishedReg 2013-12-01
    49 schema:description Transient precursor states are often experimentally observed for molecules adsorbing on surfaces. However, such precursor states are typically rather short-lived, quickly yielding to more stable adsorption configurations. Here we employ first-principles calculations to systematically explore the interaction mechanism for benzene derivatives on metal surfaces, enabling us to selectively tune the stability and the barrier between two metastable adsorption states. In particular, in the case of the tetrachloropyrazine molecule, two equally stable adsorption states are identified with a moderate and conceivably reversible barrier between them. We address the feasibility of experimentally detecting the predicted bistable behaviour and discuss its potential usefulness in a molecular switch.
    50 schema:genre research_article
    51 schema:inLanguage en
    52 schema:isAccessibleForFree true
    53 schema:isPartOf N650afaffde024ad9a448e26ea89bf82d
    54 Nc1749b05d3434dbeb1a7ba28bb1947bc
    55 sg:journal.1043282
    56 schema:name Molecular switches from benzene derivatives adsorbed on metal surfaces
    57 schema:pagination 2569
    58 schema:productId N04ac7b4975b345a78a3692764350c1ef
    59 N117936c57d3f45848aac13a970bcdae8
    60 Nb844aed357a6426db7ec89ed45e81d13
    61 Ncc994c3071d34b7985be29ffb78f8d45
    62 Nd2c99f9488414f248ba44db96799433c
    63 schema:sameAs https://app.dimensions.ai/details/publication/pub.1025903133
    64 https://doi.org/10.1038/ncomms3569
    65 schema:sdDatePublished 2019-04-10T23:37
    66 schema:sdLicense https://scigraph.springernature.com/explorer/license/
    67 schema:sdPublisher N0577976dc66e43f1a6749c01a05addfa
    68 schema:url https://www.nature.com/articles/ncomms3569
    69 sgo:license sg:explorer/license/
    70 sgo:sdDataset articles
    71 rdf:type schema:ScholarlyArticle
    72 N04ac7b4975b345a78a3692764350c1ef schema:name doi
    73 schema:value 10.1038/ncomms3569
    74 rdf:type schema:PropertyValue
    75 N0577976dc66e43f1a6749c01a05addfa schema:name Springer Nature - SN SciGraph project
    76 rdf:type schema:Organization
    77 N0f4e6e6de86a4927baab89a25e5014ff rdf:first sg:person.01042707275.51
    78 rdf:rest Nf2cec23a06f148abae8d1b8bbcf528b4
    79 N117936c57d3f45848aac13a970bcdae8 schema:name readcube_id
    80 schema:value 7b675794bea38a905d4c93d46bf9102d996a61a27d35ad9a02b0c6bbdd47c472
    81 rdf:type schema:PropertyValue
    82 N4713d649797b4d7bb67ecccf1f9dc2d0 rdf:first sg:person.01047077451.47
    83 rdf:rest Nb587aff5c41641c5b6733d231623b41d
    84 N650afaffde024ad9a448e26ea89bf82d schema:issueNumber 1
    85 rdf:type schema:PublicationIssue
    86 Nb587aff5c41641c5b6733d231623b41d rdf:first sg:person.01045036572.84
    87 rdf:rest N0f4e6e6de86a4927baab89a25e5014ff
    88 Nb844aed357a6426db7ec89ed45e81d13 schema:name dimensions_id
    89 schema:value pub.1025903133
    90 rdf:type schema:PropertyValue
    91 Nc1749b05d3434dbeb1a7ba28bb1947bc schema:volumeNumber 4
    92 rdf:type schema:PublicationVolume
    93 Ncc994c3071d34b7985be29ffb78f8d45 schema:name nlm_unique_id
    94 schema:value 101528555
    95 rdf:type schema:PropertyValue
    96 Nd2c99f9488414f248ba44db96799433c schema:name pubmed_id
    97 schema:value 24157660
    98 rdf:type schema:PropertyValue
    99 Nf2cec23a06f148abae8d1b8bbcf528b4 rdf:first sg:person.01233627233.36
    100 rdf:rest rdf:nil
    101 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
    102 schema:name Chemical Sciences
    103 rdf:type schema:DefinedTerm
    104 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
    105 schema:name Physical Chemistry (incl. Structural)
    106 rdf:type schema:DefinedTerm
    107 sg:journal.1043282 schema:issn 2041-1723
    108 schema:name Nature Communications
    109 rdf:type schema:Periodical
    110 sg:person.01042707275.51 schema:affiliation https://www.grid.ac/institutes/grid.424082.8
    111 schema:familyName Carrasco
    112 schema:givenName Javier
    113 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01042707275.51
    114 rdf:type schema:Person
    115 sg:person.01045036572.84 schema:affiliation https://www.grid.ac/institutes/grid.77602.34
    116 schema:familyName Filimonov
    117 schema:givenName Sergey N.
    118 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01045036572.84
    119 rdf:type schema:Person
    120 sg:person.01047077451.47 schema:affiliation https://www.grid.ac/institutes/grid.418028.7
    121 schema:familyName Liu
    122 schema:givenName Wei
    123 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01047077451.47
    124 rdf:type schema:Person
    125 sg:person.01233627233.36 schema:affiliation https://www.grid.ac/institutes/grid.418028.7
    126 schema:familyName Tkatchenko
    127 schema:givenName Alexandre
    128 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01233627233.36
    129 rdf:type schema:Person
    130 sg:pub.10.1038/nmat2023 schema:sameAs https://app.dimensions.ai/details/publication/pub.1016486670
    131 https://doi.org/10.1038/nmat2023
    132 rdf:type schema:CreativeWork
    133 sg:pub.10.1038/nmat2028 schema:sameAs https://app.dimensions.ai/details/publication/pub.1036680225
    134 https://doi.org/10.1038/nmat2028
    135 rdf:type schema:CreativeWork
    136 sg:pub.10.1038/nmat3436 schema:sameAs https://app.dimensions.ai/details/publication/pub.1051888745
    137 https://doi.org/10.1038/nmat3436
    138 rdf:type schema:CreativeWork
    139 sg:pub.10.1038/nnano.2012.20 schema:sameAs https://app.dimensions.ai/details/publication/pub.1050300004
    140 https://doi.org/10.1038/nnano.2012.20
    141 rdf:type schema:CreativeWork
    142 https://doi.org/10.1002/anie.201205718 schema:sameAs https://app.dimensions.ai/details/publication/pub.1010244294
    143 rdf:type schema:CreativeWork
    144 https://doi.org/10.1002/anie.201208596 schema:sameAs https://app.dimensions.ai/details/publication/pub.1053694542
    145 rdf:type schema:CreativeWork
    146 https://doi.org/10.1002/sia.2645 schema:sameAs https://app.dimensions.ai/details/publication/pub.1009557147
    147 rdf:type schema:CreativeWork
    148 https://doi.org/10.1002/smll.201101967 schema:sameAs https://app.dimensions.ai/details/publication/pub.1049782767
    149 rdf:type schema:CreativeWork
    150 https://doi.org/10.1016/0022-3697(57)90054-9 schema:sameAs https://app.dimensions.ai/details/publication/pub.1010441773
    151 rdf:type schema:CreativeWork
    152 https://doi.org/10.1016/0039-6028(91)90830-l schema:sameAs https://app.dimensions.ai/details/publication/pub.1006581725
    153 rdf:type schema:CreativeWork
    154 https://doi.org/10.1016/j.cpc.2009.06.022 schema:sameAs https://app.dimensions.ai/details/publication/pub.1016063950
    155 rdf:type schema:CreativeWork
    156 https://doi.org/10.1016/j.progsurf.2007.09.001 schema:sameAs https://app.dimensions.ai/details/publication/pub.1021041170
    157 rdf:type schema:CreativeWork
    158 https://doi.org/10.1016/j.progsurf.2011.05.002 schema:sameAs https://app.dimensions.ai/details/publication/pub.1010312459
    159 rdf:type schema:CreativeWork
    160 https://doi.org/10.1016/s0167-5729(00)00002-9 schema:sameAs https://app.dimensions.ai/details/publication/pub.1045168674
    161 rdf:type schema:CreativeWork
    162 https://doi.org/10.1016/s0927-0256(03)00111-3 schema:sameAs https://app.dimensions.ai/details/publication/pub.1045511032
    163 rdf:type schema:CreativeWork
    164 https://doi.org/10.1021/ja800286k schema:sameAs https://app.dimensions.ai/details/publication/pub.1055857759
    165 rdf:type schema:CreativeWork
    166 https://doi.org/10.1021/jp040159o schema:sameAs https://app.dimensions.ai/details/publication/pub.1056055631
    167 rdf:type schema:CreativeWork
    168 https://doi.org/10.1021/jz300968m schema:sameAs https://app.dimensions.ai/details/publication/pub.1038076992
    169 rdf:type schema:CreativeWork
    170 https://doi.org/10.1021/nl0601379 schema:sameAs https://app.dimensions.ai/details/publication/pub.1056216620
    171 rdf:type schema:CreativeWork
    172 https://doi.org/10.1021/nl2041113 schema:sameAs https://app.dimensions.ai/details/publication/pub.1056219119
    173 rdf:type schema:CreativeWork
    174 https://doi.org/10.1039/c1cc11578b schema:sameAs https://app.dimensions.ai/details/publication/pub.1041222299
    175 rdf:type schema:CreativeWork
    176 https://doi.org/10.1063/1.1564060 schema:sameAs https://app.dimensions.ai/details/publication/pub.1057720612
    177 rdf:type schema:CreativeWork
    178 https://doi.org/10.1063/1.2901877 schema:sameAs https://app.dimensions.ai/details/publication/pub.1057880412
    179 rdf:type schema:CreativeWork
    180 https://doi.org/10.1063/1.467943 schema:sameAs https://app.dimensions.ai/details/publication/pub.1058045944
    181 rdf:type schema:CreativeWork
    182 https://doi.org/10.1063/1.4773901 schema:sameAs https://app.dimensions.ai/details/publication/pub.1022448525
    183 rdf:type schema:CreativeWork
    184 https://doi.org/10.1088/0953-8984/22/2/022201 schema:sameAs https://app.dimensions.ai/details/publication/pub.1021949538
    185 rdf:type schema:CreativeWork
    186 https://doi.org/10.1088/1367-2630/15/5/053046 schema:sameAs https://app.dimensions.ai/details/publication/pub.1059136137
    187 rdf:type schema:CreativeWork
    188 https://doi.org/10.1103/physrev.44.423 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060447553
    189 rdf:type schema:CreativeWork
    190 https://doi.org/10.1103/physrevb.13.2270 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060520783
    191 rdf:type schema:CreativeWork
    192 https://doi.org/10.1103/physrevb.54.11169 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060581262
    193 rdf:type schema:CreativeWork
    194 https://doi.org/10.1103/physrevb.59.1758 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060591374
    195 rdf:type schema:CreativeWork
    196 https://doi.org/10.1103/physrevb.86.245405 schema:sameAs https://app.dimensions.ai/details/publication/pub.1000209741
    197 rdf:type schema:CreativeWork
    198 https://doi.org/10.1103/physrevlett.102.073005 schema:sameAs https://app.dimensions.ai/details/publication/pub.1001357972
    199 rdf:type schema:CreativeWork
    200 https://doi.org/10.1103/physrevlett.104.036102 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060756509
    201 rdf:type schema:CreativeWork
    202 https://doi.org/10.1103/physrevlett.108.146103 schema:sameAs https://app.dimensions.ai/details/publication/pub.1043820130
    203 rdf:type schema:CreativeWork
    204 https://doi.org/10.1103/physrevlett.109.076102 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060760195
    205 rdf:type schema:CreativeWork
    206 https://doi.org/10.1103/physrevlett.50.1998 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060788637
    207 rdf:type schema:CreativeWork
    208 https://doi.org/10.1103/physrevlett.77.3865 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060814179
    209 rdf:type schema:CreativeWork
    210 https://doi.org/10.1103/physrevlett.92.246401 schema:sameAs https://app.dimensions.ai/details/publication/pub.1052519808
    211 rdf:type schema:CreativeWork
    212 https://doi.org/10.1103/physrevlett.96.156106 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060832127
    213 rdf:type schema:CreativeWork
    214 https://doi.org/10.1126/science.1144366 schema:sameAs https://app.dimensions.ai/details/publication/pub.1005377848
    215 rdf:type schema:CreativeWork
    216 https://doi.org/10.1126/science.279.5350.542 schema:sameAs https://app.dimensions.ai/details/publication/pub.1062559396
    217 rdf:type schema:CreativeWork
    218 https://doi.org/10.1524/zkri.220.5.567.65075 schema:sameAs https://app.dimensions.ai/details/publication/pub.1043574940
    219 rdf:type schema:CreativeWork
    220 https://www.grid.ac/institutes/grid.418028.7 schema:alternateName Fritz Haber Institute of the Max Planck Society
    221 schema:name Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
    222 rdf:type schema:Organization
    223 https://www.grid.ac/institutes/grid.424082.8 schema:alternateName CIC energigune
    224 schema:name CIC Energigune, Albert Einstein 48, 01510 Miñano (Álava), Spain
    225 Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie 2, E-28049 Madrid, Spain
    226 rdf:type schema:Organization
    227 https://www.grid.ac/institutes/grid.77602.34 schema:alternateName Tomsk State University
    228 schema:name Department of Physics, Tomsk State University, 634050 Tomsk, Russia
    229 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
    230 rdf:type schema:Organization
     




    Preview window. Press ESC to close (or click here)


    ...