Lee Eunsoo, Park Hyounmyung, Joo Hyunkeun, Fokwa Boniface P T
Department of Chemical and Environmental Engineering, University of California, Riverside, Riverside, CA, 92521, USA.
Department of Chemistry, University of California, Riverside, Riverside, CA, 92521, USA.
Angew Chem Int Ed Engl. 2020 Jul 13;59(29):11774-11778. doi: 10.1002/anie.202000154. Epub 2020 May 11.
Transition-metal borides (TMBs) have recently attracted attention as excellent hydrogen evolution (HER) electrocatalysts in bulk crystalline materials. Herein, we show for the first time that VB and V B have high electrocatalytic HER activity. Furthermore, we show that the HER activity (in 0.5 m H SO ) increases with increasing boron chain condensation in vanadium borides: Using a -23 mV overpotential decrement derived from -0.296 mV (for VB at -10 mA cm current density) and -0.273 mV (for V B ) we accurately predict the overpotential of VB (-0.204 mV) as well as that of unstudied V B (-0.250 mV) and hypothetical "V B " (-0.227 mV). We then derived an exponential equation that predicts the overpotentials of known and hypothetical V B phases containing at least a boron chain. These results provide a direct correlation between crystal structure and HER activity, thus paving the way for the design of even better electrocatalytic materials through structure-activity relationships.
过渡金属硼化物（TMBs）最近作为块状晶体材料中优异的析氢（HER）电催化剂而受到关注。在此，我们首次表明VB和V₂B具有高的HER电催化活性。此外，我们表明在0.5 m H₂SO₄中，HER活性随着硼化物中硼链缩合程度的增加而增加：利用从-0.296 mV（对于VB，在-10 mA cm⁻²电流密度下）和-0.273 mV（对于V₂B）得出的-23 mV过电位降低值，我们准确预测了VB的过电位（-0.204 mV）以及未研究的V₃B的过电位（-0.250 mV）和假设的“V₄B”的过电位（-0.227 mV）。然后我们推导了一个指数方程，该方程可预测包含至少一个硼链的已知和假设的VₓB相的过电位。这些结果提供了晶体结构与HER活性之间的直接关联，从而通过结构-活性关系为设计更好的电催化材料铺平了道路。
