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首页> 外文期刊>Advanced Functional Materials >Activating Basal Planes and S-Terminated Edges of MoS2 toward More Efficient Hydrogen Evolution
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Activating Basal Planes and S-Terminated Edges of MoS2 toward More Efficient Hydrogen Evolution

机译：激活MoS2的基础平面和S端接的边缘以实现更高效的氢气释放

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摘要

Molybdenum disulfide (MoS2) has been considered as a promising alternative to platinum (Pt)-based catalyst for hydrogen evolution reaction (HER) due to its low cost and high catalytic activity. However, stable 2H phase of MoS2 (2H-MoS2) exhibits low catalytic activity in HER due to the inert basal plane and S-edge. Thus, to exploit the basal plane and S-edge for additional electrocatalytic activity, a facile strategy is developed to prepare P-doped 2H-MoS2 film on conductive substrate via low-temperature heat treatment. Due to the inherent difficulty of P-doping into MoS2 crystal structure, oxygen (O)-doping is utilized to aid the P-doping process, as supported by the first-principles calculations. Interestingly, P-doping could dramatically reduce Mo valence charge, which results in the functionalization of the inert MoS2 basal plane and S-edge. In agreement with simulation results, P-doped 2H-MoS2 electrode exhibits enhanced catalytic performance in H-2 generation with low onset potential (130 mV) and small Tafel slope of 49 mV dec(-1). The enhanced catalytic performance arises from the synergistic effect of the activated basal plane, S-edge, and Mo-edge sites, leading to favorable hydrogen adsorption energies. Most importantly, improved cyclic stability is achieved, which reveals chemically inert properties of P-doped 2H-MoS2 in acidic electrolyte.
机译：由于其低成本和高催化活性，二硫化钼（MoS2）被认为是用于氢释放反应（HER）的基于铂（Pt）的催化剂的有前途的替代品。但是，由于惰性基面和S边缘，稳定的MoS2 2H相（2H-MoS2）在HER中显示出较低的催化活性。因此，为了利用基面和S边缘获得额外的电催化活性，开发了一种简便的策略，可通过低温热处理在导电衬底上制备P掺杂的2H-MoS2薄膜。由于将P掺杂到MoS2晶体结构中固有的困难，第一原理计算支持使用氧（O）掺杂来辅助P掺杂过程。有趣的是，P掺杂可以显着降低Mo价电荷，从而导致惰性MoS2基面和S-edge的功能化。与模拟结果一致，P掺杂2H-MoS2电极在H-2生成中表现出增强的催化性能，具有低起始电位（130 mV）和49 mV dec（-1）的小Tafel斜率。增强的催化性能来自活化的基面，S边缘和Mo边缘位点的协同作用，从而产生了有利的氢吸附能。最重要的是，实现了改善的循环稳定性，这揭示了酸性电解质中P掺杂2H-MoS2的化学惰性。

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  • 来源
    《Advanced Functional Materials》 |2017年第6期|1604943.1-1604943.8|共8页
  • 作者

    Huang Xiaolei; Leng Mei; Xiao Wen; Li Meng; Ding Jun; Tan Teck Leong; Lee Wee Siang Vincent; Xue Junmin;

  • 作者单位

    Natl Univ Singapore, Fac Engn, Dept Mat Sci & Engn, 9 Engn Dr 1, Singapore 117576, Singapore;

    Natl Univ Singapore, Fac Engn, Dept Mat Sci & Engn, 9 Engn Dr 1, Singapore 117576, Singapore;

    Natl Univ Singapore, Fac Engn, Dept Mat Sci & Engn, 9 Engn Dr 1, Singapore 117576, Singapore;

    Natl Univ Singapore, Fac Engn, Dept Mat Sci & Engn, 9 Engn Dr 1, Singapore 117576, Singapore;

    Natl Univ Singapore, Fac Engn, Dept Mat Sci & Engn, 9 Engn Dr 1, Singapore 117576, Singapore;

    Agcy Sci Technol & Res, Inst High Performance Comp, Singapore 138632, Singapore;

    Natl Univ Singapore, Fac Engn, Dept Mat Sci & Engn, 9 Engn Dr 1, Singapore 117576, Singapore;

    Natl Univ Singapore, Fac Engn, Dept Mat Sci & Engn, 9 Engn Dr 1, Singapore 117576, Singapore;

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