Structural stability and the electronic properties of a (SiH)2O-formed siloxene sheet: a computational study.

Abstract

Very recently, a (SiH)2O-formed siloxene sheet has been synthesized in an experiment [S. Li, et al. J. Mater. Chem. A 2016, 4, 15841]. Utilizing first-principles calculations, we have systematically investigated the structural stability and the physical properties of this (SiH)2O sheet. We have found a dynamically stable structure because it is a puckered… (More)
DOI: 10.1039/c7cp03250a

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