Planar hexagonal B36 as a potential basis for extended single-atom layer boron sheets

Zachary A. Piazza, Han-Shi Hu, Wei-Li Li, Ya-Fan Zhao, Jun Li () and Lai-Sheng Wang ()
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Zachary A. Piazza: Brown University
Han-Shi Hu: Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University
Wei-Li Li: Brown University
Ya-Fan Zhao: Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University
Jun Li: Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University
Lai-Sheng Wang: Brown University

Nature Communications, 2014, vol. 5, issue 1, 1-6

Abstract: Abstract 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 B36 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 B36− reveals a relatively simple spectrum, suggesting a symmetric cluster. Global minimum searches for B36− lead to a quasiplanar structure with a central hexagonal hole. Neutral B36 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.

Date: 2014
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DOI: 10.1038/ncomms4113

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