Elucidating the structure-dependent selectivity towards methane and ethanol of CuZn in the CO2 electroreduction using tailored Cu/ZnO precatalysts

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{
  "revision": 4, 
  "id": "1051", 
  "created": "2021-10-12T14:17:15.629692+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:3r-gn", 
    "status": "published", 
    "title": "Elucidating the structure-dependent selectivity towards methane and ethanol of CuZn in the CO2 electroreduction using tailored Cu/ZnO precatalysts", 
    "mcid": "2021.165", 
    "license_addendum": null, 
    "_files": [
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    "owner": 132, 
    "_oai": {
      "id": "oai:materialscloud.org:1051"
    }, 
    "keywords": [
      "CO2RR", 
      "DFT", 
      "CO2", 
      "Cu", 
      "CuZn", 
      "ERC", 
      "H2020", 
      "EPFL", 
      "SNSF"
    ], 
    "conceptrecid": "1050", 
    "is_last": true, 
    "references": [
      {
        "type": "Preprint", 
        "doi": "10.1039/D1SC04271H", 
        "url": "https://pubs.rsc.org/en/content/articlepdf/2021/sc/d1sc04271h", 
        "comment": "Preprint where the data is discussed", 
        "citation": "S. B. Varandili, D. Stoian, J. Vavra, K. Rossi, J. R. Pankhurst, Y. Guntern, N. Lopez, R. Buonsanti, Chemical Science - just accepted (2021)"
      }
    ], 
    "publication_date": "Oct 22, 2021, 14:36:58", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "1051", 
    "description": "Understanding the catalyst compositional and structural features that control selectivity is of uttermost importance to target desired products in chemical reactions. In this joint experimental\u2013computational work, we leverage tailored Cu/ZnO precatalysts as a material platform to identify the intrinsic features of methane-producing and ethanol-producing CuZn catalysts in the electrochemical CO2 reduction reaction (CO2RR). Specifically, we find that Cu@ZnO nanocrystals, where a central Cu domain is decorated with ZnO domains, and ZnO@Cu nanocrystals, where a central ZnO domain is decorated with Cu domains, evolve into Cu@CuZn core@shell catalysts that are selective for methane (\u223c52%) and ethanol (\u223c39%), respectively. Operando X-ray absorption spectroscopy and various microscopy methods evidence that a higher degree of surface alloying along with a higher concentration of metallic Zn improve the ethanol selectivity. Density functional theory explains that the combination of electronic and tandem effects accounts for such selectivity. These findings mark a step ahead towards understanding structure\u2013property relationships in bimetallic catalysts for the CO2RR and their rational tuning to increase selectivity towards target products, especially alcohols.", 
    "version": 1, 
    "contributors": [
      {
        "affiliations": [
          "Laboratory of Nanochemistry for Energy (LNCE), Institute of Chemical Sciences and Engineering, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1950 Sion, Switzerland"
        ], 
        "familyname": "Varandili", 
        "givennames": "Seyedeh Behnaz"
      }, 
      {
        "affiliations": [
          "Laboratory of Nanochemistry for Energy (LNCE), Institute of Chemical Sciences and Engineering, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1950 Sion, Switzerland"
        ], 
        "familyname": "Stoian", 
        "givennames": "Dragos"
      }, 
      {
        "affiliations": [
          "Laboratory of Nanochemistry for Energy (LNCE), Institute of Chemical Sciences and Engineering, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1950 Sion, Switzerland"
        ], 
        "familyname": "Vavra", 
        "givennames": "Jan"
      }, 
      {
        "email": "kevin.rossi@epfl.ch", 
        "affiliations": [
          "Laboratory of Nanochemistry for Energy (LNCE), Institute of Chemical Sciences and Engineering, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1950 Sion, Switzerland"
        ], 
        "familyname": "Rossi", 
        "givennames": "Kevin"
      }, 
      {
        "affiliations": [
          "Laboratory of Nanochemistry for Energy (LNCE), Institute of Chemical Sciences and Engineering, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1950 Sion, Switzerland"
        ], 
        "familyname": "Pankhurst", 
        "givennames": "James R"
      }, 
      {
        "affiliations": [
          "Laboratory of Nanochemistry for Energy (LNCE), Institute of Chemical Sciences and Engineering, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1950 Sion, Switzerland"
        ], 
        "familyname": "Guntern", 
        "givennames": "Yannick"
      }, 
      {
        "affiliations": [
          "Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology, 43007 Tarragona, Spain"
        ], 
        "familyname": "Lopez", 
        "givennames": "Nuria"
      }, 
      {
        "email": "Raffaella.buonsanti@epfl.ch", 
        "affiliations": [
          "Laboratory of Nanochemistry for Energy (LNCE), Institute of Chemical Sciences and Engineering, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1950 Sion, Switzerland"
        ], 
        "familyname": "Buonsanti", 
        "givennames": "Raffaella"
      }
    ], 
    "edited_by": 100
  }, 
  "updated": "2021-10-22T12:36:58.429896+00:00"
}