Theoretical characterization of layered silica nanostructures from first-principles prediction
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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.
author list (cited authors)
Zhou, H., Xi, Z., & Zhao, M.
complete list of authors
Zhou, Hongcai||Xi, Zexiao||Zhao, Mingwen
Physics Letters A: General Physics, Nonlinear Science, Statistical Physics, Atomic, Molecular and Cluster Physics, Plasma and Fluid Physics, Condensed Matter, Cross-disciplinary Physics, Biological Physics, Nanosciences, Quantum Physics Journal