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    <identifier>10.57760/sciencedb.06094</identifier>
    <datestamp>2022-11-07T10:07:19Z</datestamp>
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<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:date>2022-11-07</dc:date>
  <dc:title>Efficient electrochemical N2 fixation by dopedoxygen-induced phosphorus vacancy defects on copper phosphide nanosheets</dc:title>
  <dc:identifier>doi:10.57760/sciencedb.06094</dc:identifier>
  <dc:language>en</dc:language>
  <dc:description>Fig. 1 (a) Schematic of the synthesis procedure of cuprous phosphides; (b) XRD patterns of CFC and RO-Cu3P/CFC; (c) and (d) SEM images of RO-Cu3P/CFC; (e) TEM image of RO-Cu3P/CFC; the inset in (e) shows the SAED pattern of RO-Cu3P/CFC; (f) HRTEM image of RO-Cu3P; (g) SEM-EDS elemental mapping images of RO-Cu3P/CFC.Fig. 2 (a) EDX spectra showing the changes in the elemental composition of the RO-Cu3P/CFC, O-Cu3P/CFC and Cu3P/CFC electrodes, (b&amp;ndash;d)high resolution Cu 2p, P 2p, and O 1s XPS spectra of RO-Cu3P/CFC, O-Cu3P/CFC and Cu3P/CFC, (e) Raman spectra of commercial CuO,commercial Cu2O, RO-Cu3P/CFC, O-Cu3P/CFC and Cu3P/CFC, (f) Cu L3,2-edge XAS spectra of Cu, Cu2O, RO-Cu3P/CFC, O-Cu3P/CFC andCu3P/CFC.Fig. 3 (a) Linear sweep voltammetry curves measured in a N2- or Ar-saturated 0.1 M Na2SO4 (pH 3, adjusted by H2SO4) aqueous solution for RO-Cu3P/CFC electrode, (b) chronoamperometry results at the corresponding applied potentials, (c) production rates of ammonia and hydrazine hydrate formation and corresponding FEs using RO-Cu3P/CFC electrode at each given potential, (d) 1 H NMR spectra of the yielded 14NH4 + and 15NH4 + from 14N2 and 15N2 feeding gases and corresponding standards, (e) recycling stability test of the RO-Cu3P/CFC electrode at -0.3 V (vs. RHE) in N2-saturated electrolyte solution with a reaction time of 2 h for each recycling experiment, (f) NH3 and N2H4 yields of the RO-Cu3P/CFC during durability measurements for 10 h.Fig. 4(a) NH3 and N2H4 production rates on Cu/CFC, Cu2O/CFC, Cu3P/CFC and RO-Cu3P/CFC electrodes, (b) the proposed reaction pathwayfor the formation of NH3 and N2H4 from molecular dinitrogen using RO-Cu3P/CFC electrode as a catalyst, (c) free-energy diagrams of NRR onthe surface vacancies of RO-Cu3P catalysts with difffferent concentrations of doped oxygen.</dc:description>
  <dc:subject>oxygen-induced phosphorus vacancy defects;  electrochemical N2 fixation; Density functional theory</dc:subject>
  <dc:creator>Meng Jin</dc:creator>
  <dc:creator>Xian Zhang</dc:creator>
  <dc:creator>Haimin Zhang</dc:creator>
  <dc:rights>PUBLIC</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/</dc:rights>
  <dc:type>dataset</dc:type>
  <dc:publisher>Science Data Bank</dc:publisher>
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