| Mo掺杂调控电子结构增强NiS电催化固氮性能 |
| Manipulating Electronic Structure of NiS by Mo Doping for Boosting Electrocatalytic Nitrogen Fixation |
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| 摘要: 以泡沫镍为骨架，通过水热法制备了Mo掺杂的NiS多级纳米花状结构（Mo-NiS）。在偏压为-0.7 V（vs RHE）下，2 h内，0.83 Mo-NiS（制备时钼、镍物质的量之比为0.83）的电催化固氮速率平均可达4.21 μg·cm-2·h-1，法拉第效率平均为18%。XPS测试和DFT计算表明，Mo掺杂增加了Ni活性位点周围的电子云密度，提高了电荷传输速率，促使*NNH2到*N能垒大幅度降低，从而提升了电催化固氮效率。 |
| 关键词: NiS 纳米花 钼掺杂 电荷传输 电催化固氮 |
| 基金项目: 国家自然科学基金（No.2171001）和安徽省学科技术带头人后备人选资助项目（No.2018H168）资助。 |
| Abstract: Mo doped NiS (Mo-NiS) hierarchical nanoflowers were prepared on porous nickel foam substrates by hydrothermal method for high-efficient electrocatalytic nitrogen fixation. Within 2 h, the optimized Mo-NiS sample 0.83 Mo-NiS (the ratio of the amount of molybdenum and nickel during preparation was 0.83) exhibited a remarkable average NH3 formation rate of 4.21 μg·cm-2·h-1 and an average Faraday efficiency of 18% at -0.7 V (vs RHE). XPS and DFT analysis revealed that Mo doping NiS nanoflower increased the electron cloud density of Ni atom, and reduced the energy barrier from *NNH2 to *N in the rate-determining step for nitrogen fixation. |
| Keywords: NiS nanoflower Mo doping charge transfer electrocatalytic nitrogen fixation |
| 投稿时间：2021-02-01 修订日期：2021-04-21 |
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| 贺梅,孙焕运,李士阔.Mo掺杂调控电子结构增强NiS电催化固氮性能[J].无机化学学报,2021,37(7):1211-1217. |
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