Molybdenum diboride nanoparticles as a highly efficient electrocatalyst for the hydrogen evolution reaction,Sustainable Energy & Fuels

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Molybdenum diboride nanoparticles as a highly efficient electrocatalyst for the hydrogen evolution reaction
Sustainable Energy & Fuels ( IF 5.0 ) Pub Date : 2017-09-07 00:00:00 , DOI: 10.1039/c7se00397h
Palani R. Jothi _{1,

2,

3,

4,

5} , Yuemei Zhang _{1,

2,

3,

4,

5} , Jan P. Scheifers _{1,

2,

3,

4} , Hyounmyung Park _{1,

2,

3,

4,

6} , Boniface P. T. Fokwa _{1,

2,

3,

4,

6}

Affiliation

Non-noble metal nanomaterials (molybdenum sulfides, phosphides, carbides, and nitrides) have recently emerged as highly active electrocatalysts for the hydrogen evolution reaction (HER). Molybdenum borides in contrast have not been studied for their HER activity at the nanoscale, however, they were recently shown to be already efficient HER catalysts in the bulk (microscale). In this study, we report on the first nanocrystalline molybdenum boride (MoB₂) synthesized by a simple, one-step, relatively low temperature (650 °C) and environmentally benign redox-assisted solid state metathesis (SSM) reaction. The obtained MoB₂ nanospheres exhibit a low onset overpotential of 154 mV at 10 mA cm⁻², a Tafel slope of 49 mV dec⁻¹ and high stability. Furthermore, density functional theory (DFT) calculations show that several surfaces are active and that the optimum evolution of H₂ occurs at a hydrogen coverage between 75% and 100% on the B-terminated {001} surface. These experimental and theoretical results open new avenues to design new architectures of inexpensive and highly efficient boron-based HER catalysts, such as boride nanospheres (with maximum active sites) or materials with B-terminated surfaces (e.g. {001} nanosheets of AlB₂-type borides or even the recently discovered borophene and related 2D compounds).

中文翻译：

二硼化钼纳米颗粒作为析氢反应的高效电催化剂

非贵金属纳米材料（硫化钼，磷化物，碳化物和氮化物）最近作为氢析出反应（HER）的高活性电催化剂出现。相比之下，尚未研究硼化物钼在纳米级的HER活性，但是，最近证明它们在整体（微米级）中已经是有效的HER催化剂。在这项研究中，我们报告了通过简单，一步，相对较低的温度（650°C）和环境友好的氧化还原辅助固态复分解（SSM）反应合成的第一个纳米晶态硼化钼（MoB ₂）。所获得的MoB ₂纳米球在10 mA cm ^-2时具有154 mV的低起始过电势，Tafel斜率为49 mV dec ^-1和高稳定性。此外，密度泛函理论（DFT）计算表明，几个表面都处于活动状态，并且H ₂的最佳析出发生在B端{001}表面的氢覆盖率介于75％和100％之间。这些实验和理论结果为设计廉价且高效的硼基HER催化剂（例如硼化物纳米球（具有最大活性位）或具有B端表面的材料（例如{001}纳米AlB ₂纳米片- ）设计新架构提供了新途径。硼化物或什至是最近发现的硼苯及相关的2D化合物）。

更新日期：2017-09-22

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