材料科学
过电位
纳米颗粒
位错
催化作用
密度泛函理论
猝灭(荧光)
化学工程
纳米技术
氢
化学物理
电化学
复合材料
物理化学
计算化学
工程类
物理
荧光
量子力学
生物化学
有机化学
化学
电极
作者
Siliang Liu,Zheng Hu,Yizeng Wu,Jinfeng Zhang,Yang Zhang,Baihua Cui,Chang Liu,Shi Hu,Naiqin Zhao,Xiaopeng Han,Anyuan Cao,Yanan Chen,Yida Deng,Wenbin Hu
标识
DOI:10.1002/adma.202006034
摘要
Designing high-performance and low-cost electrocatalysts is crucial for the electrochemical production of hydrogen. Dislocation-strained IrNi nanoparticles loaded on a carbon nanotube sponge (DSIrNi@CNTS) driven by unsteady thermal shock in an extreme environment are reported here as a highly efficient hydrogen evolution reaction (HER) catalyst. Experimental results demonstrate that numerous dislocations are kinetically trapped in self-assembled IrNi nanoparticles due to the ultrafast quenching and different atomic radii, which can induce strain effects into the IrNi nanoparticles. Such strain-induced high-energy surface structures arising from bulk defects (dislocations), are more likely to be resistant to surface restructuring during catalysis. The catalyst exhibits outstanding HER activity with only 17 mV overpotential to achieve 10 mA cm-2 in an alkaline electrolyte with fabulous stability, exceeding state-of-the-art Pt/C catalysts. These density functional theory results demonstrate that the electronic structure of as-synthesized IrNi nanostructure can be optimized by the strain effects induced by the dislocations, and the free energy of HER can be tuned toward the optimal region.
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