Nb-Doped nickel nitride-derived catalysts for electrochemical water splitting,Catalysis Science & Technology

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Nb-Doped nickel nitride-derived catalysts for electrochemical water splitting
Catalysis Science & Technology ( IF 4.4 ) Pub Date : 2021-08-09 , DOI: 10.1039/d1cy01085a
Jiadong Xiang ₁ , Wenjian Zou ₁ , Hao Tang ₁

Affiliation

The design and synthesis of noble metal-free bifunctional electrocatalysts with high performance are of critical importance for the electrochemical splitting of water. This study proposes that Nb-doped nickel nitride nanosheets supported on Ni foam (Nb–Ni₃N/NF) as novel and effective catalysts demonstrate enhanced electrocatalytic activity for the hydrogen evolution reaction (HER) and oxygen evolution reduction (OER) compared to the pristine Ni₃N samples. DFT calculations reveal that the Nb doping optimizes the Gibbs free energy of hydrogen adsorption (ΔG_H*) close to zero and lowers the d-band center of Ni, facilitating the HER process. Meanwhile, the improved OER performance is due to the Nb dopant enhancing the catalytic activity of NiOOH, which in situ formed on the Ni₃N surface during anodic oxidation. An alkaline electrolyzer using Nb–Ni₃N/NF as electrodes can realize a current density of 10 mA cm⁻² at a cell voltage of 1.61 V, even close to that of the combination of Pt and RuO₂.

中文翻译：

用于电化学分解水的 Nb 掺杂氮化镍衍生催化剂

高性能无贵金属双功能电催化剂的设计和合成对于水的电化学分解至关重要。本研究提出，与泡沫镍 (Nb–Ni ₃ N/NF)负载的 Nb 掺杂氮化镍纳米片作为新型有效催化剂相比，其对析氢反应 (HER) 和析氧还原 (OER) 的电催化活性增强。原始 Ni ₃ N 样品。DFT 计算表明，Nb 掺杂优化了氢吸附的吉布斯自由能 (Δ G _H*) 接近于零并降低 Ni 的 d 带中心，促进 HER 过程。同时，OER 性能的提高是由于 Nb 掺杂剂增强了 NiOOH 的催化活性，NiOOH在阳极氧化过程中在 Ni ₃ N 表面原位形成。使用Nb-Ni ₃ N/NF 作为电极的碱性电解槽可以在1.61 V 的电池电压下实现10 mA cm ^-2的电流密度，甚至接近Pt 和RuO ₂组合的电流密度。

更新日期：2021-09-04

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