论文标题
独立硼单层的化学不稳定性和氧化苯苯甲贝的特性
Chemical instability of free-standing boron monolayers and properties of oxidized borophene sheets
论文作者
论文摘要
在这项工作中,我们报告了不同类型的独立硼单层氧化的分步建模的结果。计算的结果表明,氧化过程始终是放热的,并导致形成泡沫样氧化硼氧化物,并具有掺入未氧化的小硼簇。这些硼氧化膜中的一些证明了化学稳定的磁心中心的存在。评估氧化生物苯片的物理特性(obs)证明了在太阳能中可能应用的传感器和涂层,以防止氢的泄漏。
In this work we report results of step-by-step modeling of the oxidation of free-standing boron monolayers of different types. Results of the calculations demonstrate that the process of the oxidation is always exothermic and lead toward the formation of foam-like boron oxide films with incorporated non-oxidized small boron clusters. Some of these boron-oxide films demonstrate the presence of chemically stable magnetic centers. Evaluation of the physical properties of oxidized boprophene sheets (OBS) demonstrate it possible application in solar energy, as sensors and coating against leakage of hydrogen.