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Analysis of Chemical Activity of Bismuthene in the Presence of Environment Gas Molecules by Means of Ab Initio Calculations

机译:通过AB Initio计算分析环境气体分子存在下铋的化学活性

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Recent activity in the investigation of new materials with reduced dimensionality resulted in the emergence of interest to two-dimensional (2D) monoele-mental structures, such as monolayer phosphorus, arsenic, antimony, and bismuth, is known as 2D pnictogens. In some cases, these materials can outperform and/or complement graphene and graphene based materials. Being the last element in group VA, bismuthene has gained substantial interest due to its outstanding electronic and mechanical properties combined with high stability in air. The large surface area of bismuthene due to its corrugated 2D structure dictates the importance of the study of its interaction with environmental gas molecules. Current work presents an investigation of chemical activity and fine structure features of bismuthene when interacting with a number of common environmental gas molecules.
机译:最近的活性在调查具有减少的维度的新材料导致二维(2D)单型精神结构的利息出现,例如单层磷,砷,锑和铋,称为2D肺炎。在某些情况下,这些材料可以优于石墨烯和基于石墨烯和石墨烯的材料。作为GA组的最后一个元素,由于其出色的电子和机械性能,Bismuthene在空气中具有高稳定性而获得了大量兴趣。由于其波纹2D结构引起的Biscuthene的大表面积决定了与环境气体分子相互作用研究的重要性。当前工作提出了与许多常见环境气体分子相互作用时Bismuthene的化学活性和精细结构特征的研究。

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