Atomically thin high-entropy oxides via naked metal ion self-assembly for proton exchange membrane electrolysis

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{
  "metadata": {
    "mcid": "2024.205", 
    "edited_by": 576, 
    "_files": [
      {
        "size": 8168, 
        "description": "xyz files for desolvation calculations based on GFN2-xTB", 
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      {
        "size": 236786, 
        "description": "Atomic configurations of DFT calculations for OER", 
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    ], 
    "id": "2489", 
    "contributors": [
      {
        "email": "tao.zhang@ntu.edu.sg", 
        "affiliations": [
          "School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore"
        ], 
        "givennames": "Tao", 
        "familyname": "Zhang"
      }, 
      {
        "givennames": "Qingyi", 
        "affiliations": [
          "School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore"
        ], 
        "familyname": "Liu"
      }, 
      {
        "givennames": "Haoming", 
        "affiliations": [
          "School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore"
        ], 
        "familyname": "Bao"
      }, 
      {
        "givennames": "Mingyue", 
        "affiliations": [
          "Centre for Clean Energy Technology, School of Mathematical and Physical Sciences, Faculty of Science, University of Technology Sydney, Sydney, NSW, 2007 Australia"
        ], 
        "familyname": "Wang"
      }, 
      {
        "givennames": "Nana", 
        "affiliations": [
          "Centre for Clean Energy Technology, School of Mathematical and Physical Sciences, Faculty of Science, University of Technology Sydney, Sydney, NSW, 2007 Australia"
        ], 
        "familyname": "Wang"
      }, 
      {
        "email": "zhangbao@uestc.edu.cn", 
        "affiliations": [
          "School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu, 611731, PR China"
        ], 
        "givennames": "Bao", 
        "familyname": "Zhang"
      }, 
      {
        "email": "fanhj@ntu.edu.sg", 
        "affiliations": [
          "School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore"
        ], 
        "givennames": "Hong Jin", 
        "familyname": "Fan"
      }
    ], 
    "status": "published", 
    "title": "Atomically thin high-entropy oxides via naked metal ion self-assembly for proton exchange membrane electrolysis", 
    "references": [
      {
        "type": "Journal reference", 
        "citation": "T. Zhang, Q. Liu, H. Bao, M. Wang, N. Wang, B. Zhang, H.J. Fan,  accepted by Nature Communications, 2025"
      }
    ], 
    "license_addendum": null, 
    "license": "Creative Commons Attribution 4.0 International", 
    "doi": "10.24435/materialscloud:16-4a", 
    "version": 1, 
    "_oai": {
      "id": "oai:materialscloud.org:2489"
    }, 
    "publication_date": "Dec 18, 2024, 12:31:14", 
    "keywords": [
      "DFT", 
      "Electrocatalysis", 
      "High-entropy oxides"
    ], 
    "description": "Here, we develop a self-assembly technique to synthesize 1-nm-thick rutile-structured high-entropy oxides (RuIrFeCoCrO\u2082) from naked metal ions assembly and oxidation at air-molten salt interface. The RuIrFeCoCrO\u2082 only requires an overpotential of 185 mV at 10 m A cm\u207b\u00b2 and maintains the high activity for over 1000 hours in an acidic electrolyte via the adsorption evolution mechanism. In this dataset, we calculated the desolvation coefficient (D) of various cations in aqueous solution and molten salt. In molten salt, the corresponding D for metal ions is higher by several orders of magnitude compared to that in water, which allows metal ions to become freely moving ions. We also conducted DFT calculations to gain insight to the structural stability and reaction mechanism of this HEO. The results show that the reaction mechanism changes from LOM (RuO\u2082) to AEM (RuIrFeCoCrO\u2082).", 
    "is_last": true, 
    "conceptrecid": "2488", 
    "owner": 1592
  }, 
  "revision": 4, 
  "updated": "2024-12-18T11:31:14.041540+00:00", 
  "id": "2489", 
  "created": "2024-12-18T03:43:16.847082+00:00"
}