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Unveiling the Mechanisms Ruling the Efficient Hydrogen Evolution Reaction with Mitrofanovite Pt3Te4.

Danil W BoukhvalovJia ChengGianluca D'OlimpioFrançois C BocquetChia-Nung KuoAnan Bari SarkarBarun GhoshIvana VobornikJun FujiiKuan HsuLi-Min WangOri AzulayGopi Nath DaptaryDoron NavehChin Shan LueMykhailo VorokhtaAmit AgarwalLixue ZhangAntonio Politano
Published in: The journal of physical chemistry letters (2021)
By means of electrocatalytic tests, surface-science techniques and density functional theory, we unveil the physicochemical mechanisms ruling the electrocatalytic activity of recently discovered mitrofanovite (Pt3Te4) mineral. Mitrofanovite represents a very promising electrocatalyst candidate for energy-related applications, with a reduction of costs by 47% compared to pure Pt and superior robustness to CO poisoning. We show that Pt3Te4 is a weak topological metal with the Z2 invariant, exhibiting electrical conductivity (∼4 × 106 S/m) comparable with pure Pt. In hydrogen evolution reaction (HER), the electrode based on bulk Pt3Te4 shows a very small overpotential of 46 mV at 10 mA cm-2 and a Tafel slope of 36-49 mV dec-1 associated with the Volmer-Heyrovsky mechanism. The outstanding ambient stability of Pt3Te4 also provides durability of the electrode and long-term stability of its efficient catalytic performances.
Keyphrases
  • density functional theory
  • public health
  • molecular dynamics
  • reduced graphene oxide