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Abstract
While the possibility to create a single-atom-thick two-dimensional layer from any material remains, only a few such structures have been obtained other than graphene and a monolayer of boron nitride. Here, based upon ab initio theoretical simulations, we propose a new stable graphenelike single-atomic-layer Si2 BN structure that has all of its atoms with sp2 bonding with no out-of-plane buckling. The structure is found to be metallic with a finite density of states at the Fermi level. This structure can be rolled into nanotubes in a manner similar to graphene. Combining first- and second-row elements in the Periodic Table to form a one-atom-thick material that is also flat opens up the possibility for studying new physics beyond graphene. The presence of Si will make the surface more reactive and therefore a promising candidate for hydrogen storage.
Document Type
Article
Publication Date
2-15-2016
Digital Object Identifier (DOI)
http://dx.doi.org/10.1103/PhysRevB.93.081413
Repository Citation
Andriotis, Antonis N.; Richter, Ernst; and Menon, Madhu, "Prediction of a New Graphenelike Si2 BN Solid" (2016). Center for Computational Sciences Faculty Publications. 3.
https://uknowledge.uky.edu/ccs_facpub/3
Notes/Citation Information
Published in Physical Review B: Condensed Matter and Materials Physics, v. 93, no. 8, article 081413, p. 1-3.
©2016 American Physical Society
The copyright holder has granted permission for posting the article here.