Abundant Vanadium Diboride with Graphene-like Boron layers for Hydrogen Evolution
Abundant Vanadium Diboride with Graphene-like Boron layers for Hydrogen Evolution
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DOI：
10.1021/acsaem.8b01615
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发表时间：
2019-01-01
影响因子：
6.4
通讯作者：
Fokwa, B. P. T.
中科院分区：
文献类型：
--
作者：
Jothi, Palani R.;Zhang, Y.;Fokwa, B. P. T.
我们报告的设计丰富和高活性的VB 2制氢。密度泛函理论（DFT）计算已经预测了VB 2的石墨烯样B层、V封端的{100}层和混合的V/B封端的{101}层的非常高的HER活性。合成了VB 2的本体样品和纳米颗粒，并测试了它们的HER性能。结果表明，无论是散装和纳米VB 2的HER活性，与理论预测一致。此外，如果与本体相比，VB 2的HER活性在纳米级显著增加，在10 mA/cm（2）电流密度下达到192 mV的过电位。增加的表面积和更高密度的活性位点是更高的纳米级活性的原因，使nano-VB 2成为迄今为止在酸性溶液中丰度、稳定性和活性方面最好的HER硼化物。
We report on the design of abundant and highly active VB2 for hydrogen production. Density functional theory (DFT) calculations have predicted very high HER activity of the graphene-like B-layer, the V-terminated {100} layer, and the mixed V/B-terminated {101} layer of VB2. Bulk samples and nanoparticles of VB2 were synthesized and tested for their HER performance. The results indicate that both bulk and nano-VB2 are active for HER, consistent with theoretical predictions. In addition, the HER activity of VB2 is significantly increased at the nanoscale if compared to the bulk, reaching an overpotential of 192 mV at 10 mA/cm(2) current density. Increased surface area and higher density of active sites are responsible for the higher nanoscale activity, making nano-VB2 the best HER boride to date in terms of abundance, stability, and activity in acidic solution.