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The self-complementary effect through strong orbital coupling in ultrathin high-entropy alloy nanowires boosting pH-universal multifunctional electrocatalysis

  • 发布时间:2023-10-19
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  • 关键字:GENERALIZED GRADIENT APPROXIMATION; ETHANOL; OXIDATION; SELECTIVITY; PRINCIPLES
  • 摘要:Rational control of the compositions, morphologies and sizes of electrocatalyst are the key factors for achieving high performance of electrocatalytic reactions. Herein, a newly ultrathin PtRuRhCoNi high-entropy alloy nanowires (HEA-NWs) (~1.6 nm) catalyst is designed. The PtRuRhCoNi NWs/C achieved high mass activity of 7.68 A mg(PtRuRh)(-1), ultrahigh C1 selectivity of 78% for ethanol oxidation reaction. For hydrogen evolution reaction, the PtRuRhCoNi NWs/C also reached high mass activity, turnover frequency (11.99 A mg(PtRuRh)(-1), 31.9 s(-1), 0.5 M H2SO4 and 8.07 A mg(PtRuRh)(-1), 26.7 s(-1), 1 M KOH at -0.05 V vs. RHE) and stability. Theoretical calculations demonstrated that the excellent electroactivity of HEA is benefited by the self-complementary effect through strong orbital coupling, which maximized the electroactivity towards both oxidation and reduction and preferred binding of key intermediate. The design of pH-universal multifunctional catalyst by rational control of the compositions, morphologies and sizes strategy can facilitate the research of advanced catalysts.
  • 卷号:312
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