Interplay of hydrogen boride sheets with water: An insight into edge stability

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{
  "updated": "2024-11-20T13:35:45.187628+00:00", 
  "id": "2374", 
  "metadata": {
    "publication_date": "Nov 20, 2024, 14:35:45", 
    "edited_by": 576, 
    "doi": "10.24435/materialscloud:r5-bt", 
    "references": [
      {
        "type": "Journal reference", 
        "citation": "K. I. M. Rojas, Y. Morikawa, and I. Hamada, Phys. Rev. Mater. VOLUME, PAGES (2024) - placeholder", 
        "doi": "xx.xx.xx", 
        "comment": "Paper where the data is discussed"
      }
    ], 
    "description": "Hydrogen boride (HB) sheet is a newly developed two-dimensional boron-based nanosheet. To explore its potential in electronic and catalytic applications, it's crucial to assess its chemical stability with common substances. In this study, we examine its stability in water, a substance frequently encountered in ambient conditions and various applications. Focusing on the HB sheet's edge, we utilized a nanoribbon model to observe water-edge interactions. This record includes the crystal structures optimized through first-principles calculations, which were used to analyze the properties and interactions between water and the HB sheet. Additionally, input files for system calculations are provided to facilitate reproducibility of the study's results.", 
    "contributors": [
      {
        "email": "krojas@cp.prec.eng.osaka-u.ac.jp", 
        "affiliations": [
          "Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871, Japan"
        ], 
        "givennames": "Kurt Irvin", 
        "familyname": "Rojas"
      }, 
      {
        "email": "morikawa@prec.eng.osaka-u.ac.jp", 
        "affiliations": [
          "Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871, Japan", 
          "Research Center for Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871, Japan"
        ], 
        "givennames": "Yoshitada", 
        "familyname": "Morikawa"
      }, 
      {
        "email": "ihamada@prec.eng.osaka-u.ac.jp", 
        "affiliations": [
          "Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871, Japan"
        ], 
        "givennames": "Ikutaro", 
        "familyname": "Hamada"
      }
    ], 
    "is_last": true, 
    "license_addendum": null, 
    "_files": [
      {
        "description": "README.md", 
        "checksum": "md5:74b9f55734a3e1027be092fb65fd05be", 
        "size": 442, 
        "key": "README.md"
      }, 
      {
        "description": "Sample input files", 
        "checksum": "md5:3017adb49d01295cfec63262d3657519", 
        "size": 40248, 
        "key": "input_files.zip"
      }, 
      {
        "description": "Structure files used in the article", 
        "checksum": "md5:5129e4a80d2a2deeb1c6c3f78efec001", 
        "size": 291844, 
        "key": "structure_files.zip"
      }
    ], 
    "version": 1, 
    "id": "2374", 
    "conceptrecid": "2373", 
    "owner": 1250, 
    "license": "Creative Commons Attribution 4.0 International", 
    "mcid": "2024.185", 
    "_oai": {
      "id": "oai:materialscloud.org:2374"
    }, 
    "status": "published", 
    "title": "Interplay of hydrogen boride sheets with water: An insight into edge stability", 
    "keywords": [
      "density-functional theory", 
      "hydrogen boride sheet", 
      "boron", 
      "water"
    ]
  }, 
  "revision": 7, 
  "created": "2024-10-01T13:34:24.461933+00:00"
}