Intrinsic defects in amorphous TiO2

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{
  "metadata": {
    "is_last": true, 
    "version": 1, 
    "title": "Intrinsic defects in amorphous TiO2", 
    "keywords": [
      "peroxy linkage", 
      "holes", 
      "amorphous TiO2", 
      "bulk model"
    ], 
    "description": "This entry provides the atomic structures of three bulk amorphous TiO2 models generated through the melt-and-quench method with different cooling rates and of ten O-O peroxy linkages obtained by adding two holes to the bulk model constructed with the lowest cooling rate.", 
    "license": "Creative Commons Attribution 4.0 International", 
    "references": [
      {
        "url": "", 
        "type": "Journal reference", 
        "citation": "Z. Guo, F. Ambrosio, A. Pasquarello, Journal of Materials Chemistry A 6, 11804 (2018)", 
        "comment": "", 
        "doi": "10.1039/c8ta02179a"
      }
    ], 
    "doi": "10.24435/materialscloud:2019.0028/v1", 
    "conceptrecid": "149", 
    "publication_date": "May 30, 2019, 00:00:00", 
    "edited_by": 98, 
    "_oai": {
      "id": "oai:materialscloud.org:150"
    }, 
    "contributors": [
      {
        "affiliations": [
          "Chaire de Simulation \u00e0 l\u2019Echelle Atomique (CSEA), Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland"
        ], 
        "email": "zhendong.guo@epfl.ch", 
        "familyname": "Guo", 
        "givennames": "Zhendong"
      }, 
      {
        "affiliations": [
          "Chaire de Simulation \u00e0 l\u2019Echelle Atomique (CSEA), Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland"
        ], 
        "familyname": "Ambrosio", 
        "givennames": "Francesco"
      }, 
      {
        "affiliations": [
          "Chaire de Simulation \u00e0 l\u2019Echelle Atomique (CSEA), Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland"
        ], 
        "email": "alfredo.pasquarello@epfl.ch", 
        "familyname": "Pasquarello", 
        "givennames": "Alfredo"
      }
    ], 
    "owner": 44, 
    "license_addendum": "", 
    "mcid": "2019.0028/v1", 
    "_files": [
      {
        "size": 44175, 
        "checksum": "md5:611eba5300d196734657806984752e6b", 
        "description": "10 different peroxy configurations formed upon the addition of two holes to the bulk amorphous TiO2 model constructed with the lowest cooling rate.", 
        "key": "O-O_xyz.zip"
      }, 
      {
        "size": 16396, 
        "checksum": "md5:fbe46cfe35fe3353e72c9a5a10b4c61c", 
        "description": "The atomic structures of bulk amorphous TiO2 models achieved through the melt-and-quench technique using different cooling rates: (i) 75 K/ps (Model 1), (ii) 300 K/ps (Model 2), and (iii) 600 K/ps (Model 3). The radial distribution functions calculated for these three models differ negligibly (see original paper) .", 
        "key": "Bulk_model.zip"
      }, 
      {
        "size": 524, 
        "checksum": "md5:59ec4699388e7c4328f43dd0c3b2d0fb", 
        "description": "Description of the file contents.", 
        "key": "README.txt"
      }
    ], 
    "id": "150", 
    "status": "published"
  }, 
  "revision": 1, 
  "updated": "2019-05-30T00:00:00+00:00", 
  "created": "2020-05-12T13:52:54.641647+00:00", 
  "id": "150"
}