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Nb-Doped nickel nitride-derived catalysts for electrochemical water splitting

机译：Nb-Doped nitride-derived镍催化剂电化学水分裂

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摘要

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 (Delta G(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.
机译：高贵的设计和合成不含金属的双官能electrocatalysts高性能是至关重要的电化学分解水。建议Nb-doped氮化镍nanosheets支持镍泡沫(Nb-Ni3N / NF)新颖有效的催化剂显示增强氢electrocatalytic活动进化进化(她)和氧气的反应减少(OER)原始Ni3N相比样本。兴奋剂优化的吉布斯自由能氢吸附(δG (H *))接近于零降低了镍的d带中心,促进她的过程。性能是由于Nb掺杂剂提高NiOOH催化活性,原位形成的Ni3N表面阳极氧化。碱性电解槽使用Nb-Ni3N / NF电极可以实现10马的电流密度厘米(2)电池电压为1.61 V,甚至接近Pt和RuO2的组合。

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