Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets

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{
  "revision": 8, 
  "id": "1465", 
  "created": "2022-09-01T07:46:20.117962+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:fw-66", 
    "status": "published", 
    "title": "Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets", 
    "mcid": "2022.112", 
    "license_addendum": null, 
    "_files": [
      {
        "description": "README file describing detailed information about files included in data.tgz", 
        "key": "README.txt", 
        "size": 4134, 
        "checksum": "md5:5fad05b43cc419662ceb2d9c847d40eb"
      }, 
      {
        "description": "Archive file containing raw input and output files and data of density functional theory calculations.", 
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        "size": 70456706, 
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    "owner": 690, 
    "_oai": {
      "id": "oai:materialscloud.org:1465"
    }, 
    "keywords": [
      "hydrogen boride", 
      "two-dimensional", 
      "density functional theory", 
      "carbon dioxide", 
      "methane", 
      "ethane", 
      "CO2 conversion"
    ], 
    "conceptrecid": "1464", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "citation": "T. Goto, S. Ito, S. L. Shinde, R. Ishibiki, Y. Hikita, I. Matsuda, I. Hamada, H. Hosono, T. Kondo, Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets, Commun. Chem. (accepted)"
      }
    ], 
    "publication_date": "Sep 12, 2022, 09:54:00", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "1465", 
    "description": "Hydrogen boride (HB) sheets are metal-free two-dimensional materials comprising boron and hydrogen in a 1:1 stoichiometric ratio. In spite of the several advancements, the fundamental interactions between HB sheets and discrete molecules remain unclear. Here, we report the adsorption of CO<sub>2</sub> and its conversion to CH<sub>4</sub> and C<sub>2</sub>H<sub>6</sub> using hydrogen-deficient HB sheets. Although fresh HB sheets did not adsorb CO<sub>2</sub>, hydrogen-deficient HB sheets reproducibly physisorbed CO<sub>2</sub> at 297 K. The adsorption followed the Langmuir model with a saturation coverage of 2.4 \u00d7 10<sup>\u22124</sup> mol g<sup>\u22121</sup> and a heat of adsorption of approximately 20 kJ mol<sup>\u22121</sup>, which was supported by density functional theory calculations. When heated in a CO<sub>2</sub> atmosphere, hydrogen-deficient HB began reacting with CO<sub>2</sub> at 423 K. The detection of CH<sub>4</sub> and C<sub>2</sub>H<sub>6</sub> as CO<sub>2</sub> reaction products in a moist atmosphere indicated that hydrogen-deficient HB promotes C\u2013C coupling and CO<sub>2</sub> conversion reactions. Our findings highlight the application potential of HB sheets as catalysts for CO<sub>2</sub> conversion.", 
    "version": 1, 
    "contributors": [
      {
        "affiliations": [
          "Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1, Tennodai, Tsukuba 305-8573, Japan"
        ], 
        "familyname": "Goto", 
        "givennames": "Taiga"
      }, 
      {
        "affiliations": [
          "Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503, Japan", 
          "Department of Materials Science and Tsukuba Research Center for Energy Materials Science, Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Japan"
        ], 
        "familyname": "Ito", 
        "givennames": "Shin-ichi"
      }, 
      {
        "affiliations": [
          "Department of Materials Science and Tsukuba Research Center for Energy Materials Science, Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Japan"
        ], 
        "familyname": "Shinde", 
        "givennames": "Satish Laxman"
      }, 
      {
        "affiliations": [
          "Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1, Tennodai, Tsukuba 305-8573, Japan"
        ], 
        "familyname": "Ishibiki", 
        "givennames": "Ryota"
      }, 
      {
        "affiliations": [
          "Advanced Research and Innovation Center, DENSO CORPORATION, Nisshin, Aichi 470-0111, Japan"
        ], 
        "familyname": "Hikita", 
        "givennames": "Yasuyuki"
      }, 
      {
        "affiliations": [
          "Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwa, Chiba 277-8581, Japan"
        ], 
        "familyname": "Matsuda", 
        "givennames": "Iwao"
      }, 
      {
        "email": "ihamada@prec.eng.osaka-u.ac.jp", 
        "affiliations": [
          "Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871, Japan"
        ], 
        "familyname": "Hamada", 
        "givennames": "Ikutaro"
      }, 
      {
        "affiliations": [
          "Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503, Japan", 
          "International Center for Materials Nanoarchitectonics, National Institute for Materials Science, Tsukuba 305-0044, Japan"
        ], 
        "familyname": "Hosono", 
        "givennames": "Hideo"
      }, 
      {
        "affiliations": [
          "Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503, Japan", 
          "Department of Materials Science and Tsukuba Research Center for Energy Materials Science, Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Japan"
        ], 
        "familyname": "Kondo", 
        "givennames": "Takahiro"
      }
    ], 
    "edited_by": 576
  }, 
  "updated": "2022-09-12T07:54:00.638321+00:00"
}