The rational design and construction of high-performance Ni-based methanol oxidation catalyst is the key technology for direct methanol fuel cell (DMFC). In this work, Ni/NiS–MoO@CC composite is constructed by in-situ growth of Ni/NiS–MoO nanoparticles on carbon cloth (CC) by a two-step method, which has excellent activity and stability for methanol oxidation reaction (MOR), that is, the current density (j) can reach 240.08 mA cm at the potential of 1.67 V. The potentials at different j are 10 mA cm@1.37 V and 100 mA cm@1.50 V, respectively. Meanwhile, the retention rate of j is 90.36 % after 12 h CA stability test. Based on density functional theory (DFT) calculation, the excellent properties of Ni/NiS–MoO@CC composite are mainly attributed to its higher conductivity and higher carrier density accelerate the charge transfer in the MOR process, its Ni and Mo sites facilitate the adsorption of methanol as a reactant and desorption of carbon dioxide as a product, thus promoting the kinetics of MOR. In addition, the reaction mechanism of MOR on the Ni/NiS–MoO@CC is more likely to follow the formation path of CO* intermediates. This work provides a feasible route for the synthesis of high performance electrocatalysts for the MOR.

中文翻译：

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碳布上原位生长 Ni/Ni3S2–MoO2 纳米晶体用于甲醇的增强电催化氧化


高性能镍基甲醇氧化催化剂的合理设计和构建是直接甲醇燃料电池（DMFC）的关键技术。本工作通过两步法在碳布（CC）上原位生长Ni/NiS-MoO纳米颗粒构建了Ni/NiS-MoO@CC复合材料，该复合材料对甲醇氧化反应具有优异的活性和稳定性（ MOR)，即在1.67 V电位下电流密度(j)可以达到240.08 mA cm。不同j下的电位分别为10 mA cm@1.37 V和100 mA cm@1.50 V。同时，经过12 h CA稳定性测试后j的保留率为90.36%。基于密度泛函理论（DFT）计算，Ni/NiS-MoO@CC复合材料的优异性能主要归因于其较高的电导率和较高的载流子密度加速了MOR过程中的电荷转移，其Ni和Mo位点有利于吸附甲醇作为反应物，解吸二氧化碳作为产物，从而促进了 MOR 的动力学。此外，MOR在Ni/NiS-MoO@CC上的反应机制更有可能遵循CO*中间体的形成路径。该工作为MOR高性能电催化剂的合成提供了一条可行的路线。