Planar hexagonal B36 as a potential basis for extended single-atom layer boron sheets
Planar hexagonal B36 as a potential basis for extended single-atom layer boron sheets
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平面六方 B36 作为扩展单原子层硼片的潜在基础
DOI：
10.1038/ncomms4113
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发表时间：
2014-01-01
影响因子：
16.6
通讯作者：
Wang, Lai-Sheng
中科院分区：
文献类型：
--
作者：
Piazza, Zachary A.;Hu, Han-Shi;Wang, Lai-Sheng
硼在元素周期表中是碳的邻居，具有相似的价轨道。然而，硼由于缺乏电子而不能形成具有蜂窝状六方骨架的类石墨烯结构。计算研究表明，具有部分填充的六角形孔的延伸硼片是稳定的；然而，还没有实验证据证明这种原子薄的硼纳米结构。在这里，我们从实验和理论上证明，B-36是一种高度稳定的准平面硼团簇，具有中心六角形孔，这提供了第一个实验证据，表明具有六角形空位的单原子层硼片具有潜在的可行性。 B-36(-) 的光电子能谱显示出相对简单的光谱，表明存在对称簇。 B-36(-) 的全局最小搜索导致具有中心六角形孔的准平面结构。中性B-36是最小的硼团簇，具有六重对称性和完美的六方空位，它可以被视为扩展二维硼片的潜在基础。
Boron is carbon's neighbour in the periodic table and has similar valence orbitals. However, boron cannot form graphene-like structures with a honeycomb hexagonal framework because of its electron deficiency. Computational studies suggest that extended boron sheets with partially filled hexagonal holes are stable; however, there has been no experimental evidence for such atom-thin boron nanostructures. Here, we show experimentally and theoretically that B-36 is a highly stable quasiplanar boron cluster with a central hexagonal hole, providing the first experimental evidence that single-atom layer boron sheets with hexagonal vacancies are potentially viable. Photoelectron spectroscopy of B-36(-) reveals a relatively simple spectrum, suggesting a symmetric cluster. Global minimum searches for B-36(-) lead to a quasiplanar structure with a central hexagonal hole. Neutral B-36 is the smallest boron cluster to have sixfold symmetry and a perfect hexagonal vacancy, and it can be viewed as a potential basis for extended two-dimensional boron sheets.