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解读全硼石墨烯 α 片层中六方孔的奥秘。

Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet.

机构信息

Department of Chemistry and Biochemistry, Utah State University, Old Main Hill 0300, Logan, UT 84322-0300, USA.

出版信息

Phys Chem Chem Phys. 2011 Jun 28;13(24):11575-8. doi: 10.1039/c1cp20439d. Epub 2011 May 20.

DOI:10.1039/c1cp20439d
PMID:21603683
Abstract

Boron could be the next element after carbon capable of forming 2D-materials similar to graphene. Theoretical calculations predict that the most stable planar all-boron structure is the so-called α-sheet. The mysterious structure of the α-sheet with peculiar distribution of filled and empty hexagons is rationalized in terms of chemical bonding. We show that the hexagon holes serve as scavengers of extra electrons from the filled hexagons. This work could advance rational design of all-boron nanomaterials.

摘要

硼可能是继碳之后的下一个能够形成类似于石墨烯的 2D 材料的元素。理论计算预测,最稳定的平面全硼结构是所谓的α-片层。α-片层的神秘结构具有奇特的填充和空六边形分布,用化学键合的观点进行了合理化解释。我们表明,六边形孔充当了来自填充六边形的额外电子的清除剂。这项工作可以促进全硼纳米材料的合理设计。

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