Hydrogenated borophene as a stable two-dimensional Dirac material with an ultrahigh Fermi velocity

Xu, Li-Chun, Du, Aijun, & Kou, Liangzhi (2016) Hydrogenated borophene as a stable two-dimensional Dirac material with an ultrahigh Fermi velocity. Physical Chemistry Chemical Physics. (In Press)

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The recent synthesis of monolayer borophene (triangular boron monolayer) on a substrate has opened the era of boron nanosheets (Science, 2015, 350, 1513), but the structural instability and a need to explore the novel physical properties are still open issues. Here we demonstrated that borophene can be stabilized by full surface hydrogenation (borophane), from first-principles calculations. Most interestingly, our calculations show that borophane has direction-dependent Dirac cones, which are mainly caused by the in-plane px and py orbitals of boron atoms. The Dirac fermions possess an ultrahigh Fermi velocity of up to 3.5 × 106 m s−1 under the HSE06 level, which is 4 times higher than that of graphene. The Young's moduli are calculated to be 190 and 120 GPa nm along two different directions, which are comparable to those of steel. The ultrahigh Fermi velocity and good mechanical features render borophane ideal for nanoelectronic applications.

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ID Code: 99545
Item Type: Journal Article
Refereed: Yes
DOI: 10.1039/C6CP05405F
ISSN: 1463-9084
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2016 Royal Society of Chemistry
Deposited On: 26 Sep 2016 23:58
Last Modified: 27 Sep 2016 22:33

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