Theoretical characterization of layered silica nanostructures from first-principles prediction Academic Article

abstract

• 2014 Elsevier B.V. All rights reserved. Using first-principles calculations, we study the structural, mechanical and electronic properties of the layered silica nanostructures built on base of silica bilayers consisting of four- and six-membered Si-O ring (4 MR and 6 MR) units. These silica nanostructures have high stability and good flexibility comparable to graphene and can serve as a promising precursor for the fabrication of well-ordered silica nanotubes. The porous structure and wide band gap of the silica nanomaterials may find applications in gas separation, slow-release microcapsules, and catalyst supports.

authors

• Zhou, Hongcai

published proceedings

• PHYSICS LETTERS A

author list (cited authors)

• Zhou, H., Xi, Z., & Zhao, M.

citation count

• 8

complete list of authors

• Zhou, Hongcai||Xi, Zexiao||Zhao, Mingwen

publication date

• October 2014

publisher

• Elsevier  Publisher

published in

• Physics Letters, Section A: General, Atomic and Solid State Physics  Journal

keywords

• Electron Transfer
• First-principles Calculation
• Nanotube
• Phonon Spectrum
• Silica Layered Structure

Digital Object Identifier (DOI)

• 10.1016/j.physleta.2014.09.025

start page

• 3348

end page

• 3353

volume

• 378

issue

• 45

URL

• http://dx.doi.org/10.1016/j.physleta.2014.09.025