Ni₃B/Ni heterostructures have been constructed, which exhibit exceptional catalytic performance toward the hydrogen oxidation reaction (HOR) under alkaline media, with the mass activity being about 10 times greater than that of Ni₃B and Ni, respectively, ranking among the most active platinum-group-metal-free electrocatalysts. Experimental results and theoretical calculations confirm electron transfer from Ni₃B to Ni at the Ni₃B/Ni interface, resulting in inter-regulated d-band centers of these two components. This inter-regulation gives rise to optimized binding energies of intermediates, which together contribute to enhanced alkaline HOR activity.

中文翻译：

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Ni3B / Ni异质结构的相互调节的d带中心，用于增强碱性介质中的氢电氧化

已构建了Ni ₃ B / Ni异质结构，在碱性介质下对氢氧化反应（HOR）表现出优异的催化性能，其质量活度分别比Ni ₃ B和Ni大10倍左右，位居其中。最活跃的无铂族金属的电催化剂。实验结果和理论计算证实了在Ni ₃ B / Ni界面上从Ni ₃ B到Ni的电子转移，导致这两个成分的d带中心相互调节。这种相互调节产生了中间体的优化结合能，它们共同有助于增强碱性HOR活性。