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


  • 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.

published proceedings


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