Creating Competitive Active Sites on CNTs Walls by N‐Doping and Sublayer Co4N Encapsulating for Efficient Hydrogen Evolution Reaction,ChemElectroChem

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Creating Competitive Active Sites on CNTs Walls by N‐Doping and Sublayer Co4N Encapsulating for Efficient Hydrogen Evolution Reaction
ChemElectroChem ( IF 3.5 ) Pub Date : 2020-04-07 , DOI: 10.1002/celc.202000062
Mingyang Jiao ₁ , Zhiheng Wang _{1,

2} , Zhipeng Chen ₁ , Xinxin Zhang _{1,

2} , Kaiwen Mou _{1,

2} , Wei Zhang ₃ , Licheng Liu _{1,

4,

5}

Affiliation

An excellent catalyst can be effectively designed by adjusting its electronic structure. In this paper, an efficient hydrogen evolution reaction (HER) catalyst, carbon nanotubes with N doping and sublayer Co₄N encapsulating (N−CNTs@Co₄N) supported on Ni foam (NF), was designed and prepared through a complementary electronic structure principle. The as‐prepared N−CNTs@Co₄N@NF catalyst shows outstanding hydrogen evolution activity in 1.0 M KOH solution. DFT calculation indicated that carbon nanotubes wall of N−CNTs@Co₄N@NF catalyst provided more competitive catalytic active sites for hydrogen evolution reaction than N doped CNTs and Co₄N singly. The greatly improved catalytic ability was owing to the redistribution of electron density for N−CNTs after Co₄N embeds in, leading to a moderate absorption energy of H. This study demonstrated the successful rational design and experimental verification on developing a novel non‐noble metal catalyst.

中文翻译：

通过N掺杂和亚层Co4N封装在CNTs壁上创建竞争性的活性位点，以进行有效的氢释放反应

通过调节其电子结构可以有效地设计出优异的催化剂。本文设计并制备了一种高效的析氢反应（HER）催化剂，掺杂有N的碳纳米管和负载在Ni泡沫（NF）上的亚层Co ₄ N包封（N-CNTs @ Co ₄ N）。结构原理。所制备的N-CNTs @ Co ₄ N @ NF催化剂在1.0 M KOH溶液中表现出出色的析氢活性。DFT计算表明，与N掺杂的CNTs和Co ₄相比，N-CNTs @ Co ₄ N @ NF催化剂的碳纳米管壁为析氢反应提供了更具竞争性的催化活性位点。N个。嵌入Co ₄ N后，N-CNTs电子密度的重新分布大大提高了催化能力，从而产生了适度的H吸收能。这项研究证明了开发新型非贵金属的成功合理设计和实验验证金属催化剂。

更新日期：2020-04-07

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