Stability and electronic properties of atomistically-engineered 2D boron sheets
Document Type
Article
Publication Date
2-22-2007
Abstract
First principles calculations based on generalized-gradient approximation to density functional theory are performed to study structural and electronic properties of the 2D sheets consisting of the elemental boron. The results find that the boron sheet can be stable and can possess metallic or semiconducting character depending on its atomistic configuration. The unique features present in the electronic properties of the buckled {1212} and reconstructed {1221} sheets would lead to a significant variation on electronic and mechanical properties of the corresponding single-walled boron nanotubes. © 2007 American Chemical Society.
Publication Title
Journal of Physical Chemistry C
Recommended Citation
Lau, K.,
&
Pandey, R.
(2007).
Stability and electronic properties of atomistically-engineered 2D boron sheets.
Journal of Physical Chemistry C,
111(7), 2906-2912.
http://doi.org/10.1021/jp066719w
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/8101