On-surface synthesis of unsaturated carbon nanostructures with regularly fused pentagon-heptagon pairs

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{
  "revision": 5, 
  "id": "564", 
  "created": "2020-10-08T07:35:34.283784+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:e0-qn", 
    "status": "published", 
    "title": "On-surface synthesis of unsaturated carbon nanostructures with regularly fused pentagon-heptagon pairs", 
    "mcid": "2020.116", 
    "license_addendum": null, 
    "_files": [
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      {
        "description": "Archive containing provenance of calculations done with AiiDA", 
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    "owner": 26, 
    "_oai": {
      "id": "oai:materialscloud.org:564"
    }, 
    "keywords": [
      "carbon nanostructures", 
      "polymers", 
      "MARVEL/DD3", 
      "SNSF", 
      "CSCS", 
      "open shell systems", 
      "on surface synthesis"
    ], 
    "conceptrecid": "563", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "doi": "10.1021/jacs.0c03635", 
        "url": "https://pubs.acs.org/doi/10.1021/jacs.0c03635", 
        "comment": "Manuscript where the results are discussed", 
        "citation": "I. Cheng-Yi Hou, Q. Sun, K. Eimre, M. Di Giovannantonio, J. I. Urgel, P. Ruffieux, A. Narita, R. Fasel, K. M\u00fcllen, J. Am. Chem. Soc. 142, 10291 - 10296 (2020)"
      }
    ], 
    "publication_date": "Oct 12, 2020, 12:32:07", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "564", 
    "description": "In this record we provide data to support our recent findings for the fabrication of Unsaturated Carbon Nanostructures with Regularly Fused Pentagon\u2013Heptagon Pairs. Multiple fused pentagon\u2013heptagon pairs are frequently found as defects at the grain boundaries of the hexagonal graphene lattice and are suggested to have a fundamental influence on graphene-related materials. However, the construction of sp2-carbon skeletons with multiple regularly fused pentagon\u2013heptagon pairs is challenging. In this work, we found that the pentagon\u2013heptagon skeleton of azulene was rearranged during the thermal reaction of an azulene-incorporated organometallic polymer on Au(111). The resulting sp2-carbon frameworks were characterized by high-resolution scanning probe microscopy techniques and feature novel polycyclic architectures composed of multiple regularly fused pentagon\u2013heptagon pairs. Moreover, the calculated analysis of its aromaticity revealed a peculiar polar electronic structure.", 
    "version": 1, 
    "contributors": [
      {
        "affiliations": [
          "Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany", 
          "Department Chemie, Johannes Gutenberg-University Mainz, Duesbergweg 10-14, 55128 Mainz, Germany"
        ], 
        "familyname": "Hou", 
        "givennames": "Ian Cheng-Yi"
      }, 
      {
        "affiliations": [
          "Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Sun", 
        "givennames": "Qiang"
      }, 
      {
        "email": "kristjan.eimre@empa.ch", 
        "affiliations": [
          "Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Eimre", 
        "givennames": "Kristjan"
      }, 
      {
        "affiliations": [
          "Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Di Giovannantonio", 
        "givennames": "Marco"
      }, 
      {
        "affiliations": [
          "Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Urgel", 
        "givennames": "Jos\u00e9 I."
      }, 
      {
        "affiliations": [
          "Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Ruffieux", 
        "givennames": "Pascal"
      }, 
      {
        "affiliations": [
          "Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany", 
          "Organic and Carbon Nanomaterials Unit, Okinawa Institute of Science and Technology Graduate University, 1919-1 Tancha, Onna-son, Kunigami, Okinawa 904-0495, Japan"
        ], 
        "familyname": "Narita", 
        "givennames": "Akimitsu"
      }, 
      {
        "email": "roman.fasel@empa.ch", 
        "affiliations": [
          "Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 D\u00fcbendorf, Switzerland", 
          "Department of Chemistry and Biochemistry, University of Bern, 3012 Bern, Switzerland"
        ], 
        "familyname": "Fasel", 
        "givennames": "Roman"
      }, 
      {
        "affiliations": [
          "Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany", 
          "Department Chemie, Johannes Gutenberg-University Mainz, Duesbergweg 10-14, 55128 Mainz, Germany"
        ], 
        "familyname": "M\u00fcllen", 
        "givennames": "Klaus"
      }
    ], 
    "edited_by": 100
  }, 
  "updated": "2020-10-12T10:32:07.371814+00:00"
}