Chemical stability of hydrogen boride nanosheets in water
Chemical stability of hydrogen boride nanosheets in water
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DOI：
10.1038/s43246-021-00184-5
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发表时间：
2021-07-23
影响因子：
7.8
通讯作者：
Hamada, Ikutaro
中科院分区：
文献类型：
--
作者：
Rojas, Kurt Irvin M.;Nguyen Thanh Cuong;Hamada, Ikutaro
硼基二维材料在电子器件和催化应用中的应用是令人感兴趣的，对于这些应用，重要的是它们是化学稳定的。在这里，我们探索硼化氢纳米片在水中的化学稳定性。实验表明，混合硼化氢和水产生的氢量可以忽略不计，这表明不会发生水解，硼化氢在水中是稳定的，这与大多数硼氢化物材料相反。第一性原理计算表明，即使在存在缺陷的情况下，片材与水的相互作用也很弱，并且带负电荷的硼防止水解的发生。我们的结论是，硼的电荷状态和共价硼硼键网络负责的化学和结构稳定性。另一方面，我们发现质子交换与硼化氢纳米片确实发生在水中，这表明它们在水的存在下变成酸性。纳米级硼基材料是有前途的电子器件，重要的是要了解它们的化学稳定性。在这里，硼化氢纳米片在水中对水解是稳定的，从头计算归因于硼的电荷状态和硼-硼键网络。
Boron-based two-dimensional materials are of interest for use in electronic devices and catalytic applications, for which it is important that they are chemically stable. Here, we explore the chemical stability of hydrogen boride nanosheets in water. Experiments reveal that mixing hydrogen boride and water produces negligible amounts of hydrogen, suggesting that hydrolysis does not occur and that hydrogen boride is stable in water, which is in contrast to most boron hydride materials. First-principles calculations reveal that the sheets interact weakly with water even in the presence of defects and that negatively charged boron prevents the onset of hydrolysis. We conclude that the charge state of boron and the covalent boron-boron bond network are responsible for the chemical and structural stability. On the other hand, we found that proton exchange with hydrogen boride nanosheets does occur in water, indicating that they become acidic in the presence of water.Nanoscale boron-based materials are promising for electronic devices, and it is important to understand their chemical stability. Here, hydrogen boride nanosheets are stable against hydrolysis in water, which ab initio calculations attribute to the charge state of boron and the boron-boron bond network.