Unexpected Correlation Between Boron Chain Condensation and Hydrogen Evolution Reaction (HER) Activity in Highly Active Vanadium Borides: Enabling Predictions
Unexpected Correlation Between Boron Chain Condensation and Hydrogen Evolution Reaction (HER) Activity in Highly Active Vanadium Borides: Enabling Predictions
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DOI：
10.1002/anie.202000154
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发表时间：
2020-05-11
影响因子：
16.6
通讯作者：
Fokwa, Boniface P. T.
中科院分区：
文献类型：
--
作者：
Lee, Eunsoo;Park, Hyounmyung;Fokwa, Boniface P. T.
过渡金属硼化物（TMBs）作为块体晶体材料中优异的析氢电催化剂，近年来引起了人们的关注。在此，我们首次表明，VB和V3 B4具有高的电催化HER活性。此外，我们表明，HER活性（在0.5 m H2SO 4中）随着硼化钒中硼链缩合的增加而增加：使用从-0.296 mV导出的-23 mV超电位减量（对于VB，在-10 mA cm（-2）电流密度下）和-0.273 mV（对于V3 B4），我们准确地预测了VB 2（-0.204 mV）以及未研究的V2 B3（-0.250 mV）和假设的“V5 B8”（-0.227 mV）的过电位。然后，我们推导出一个指数方程，预测已知的和假设的过电位的相包含至少一个硼链。这些结果提供了晶体结构和HER活性之间的直接相关性，从而为通过结构-活性关系设计更好的电催化材料铺平了道路。
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 V3B4 have high electrocatalytic HER activity. Furthermore, we show that the HER activity (in 0.5 m H2SO4) 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(-2) current density) and -0.273 mV (for V3B4) we accurately predict the overpotential of VB2 (-0.204 mV) as well as that of unstudied V2B3 (-0.250 mV) and hypothetical "V5B8" (-0.227 mV). We then derived an exponential equation that predicts the overpotentials of known and hypothetical VxBy 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.