【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4.21μg·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。更多还原

【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 sample0.83 Mo-NiS（the ratio of the amount of molybdenum and nickel during preparation was 0.83） exhibited a remark-able 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.更多还原