Strain-engineering of band gaps in piezoelectric boron nitride nanoribbons. Academic Article

abstract

• Two-dimensional atomic sheets such as graphene and boron nitride monolayers represent a new class of nanostructured materials for a variety of applications. However, the intrinsic electronic structure of graphene and h-BN atomic sheets limits their direct application in electronic devices. By first-principles density functional theory calculations we demonstrate that band gap of zigzag BN nanoribbons can be significantly tuned under uniaxial tensile strain. The unexpected sensitivity of band gap results from reduced orbital hybridization upon elastic strain. Furthermore, sizable dipole moment and piezoelectric effect are found in these ribbons owing to structural asymmetry and hydrogen passivation. This will offer new opportunities to optimize two-dimensional nanoribbons for applications such as electronic, piezoelectric, photovoltaic, and opto-electronic devices.

authors

• Qian, Xiaofeng

published proceedings

• Nano Lett

altmetric score

• 3.5

author list (cited authors)

• Qi, J., Qian, X., Qi, L., Feng, J. i., Shi, D., & Li, J. u.

citation count

• 171

complete list of authors

• Qi, Jingshan||Qian, Xiaofeng||Qi, Liang||Feng, Ji||Shi, Daning||Li, Ju

publication date

• March 2012

publisher

• American Chemical Society (ACS)  Publisher

published in

• Nano Letters: a journal dedicated to nanoscience and nanotechnology  Journal

keywords

• Boron Compounds
• Computer Simulation
• Crystallization
• Elastic Modulus
• Macromolecular Substances
• Materials Testing
• Models, Chemical
• Models, Molecular
• Molecular Conformation
• Nanostructures
• Particle Size
• Stress, Mechanical
• Surface Properties

PubMed Central ID

• 22364268

Digital Object Identifier (DOI)

• 10.1021/nl2035749

start page

• 1224

end page

• 1228

volume

• 12

issue

• 3

URL

• http%3A%2F%2Fdx.doi.org%2F10.1021%2Fnl2035749