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Comment on “The structure of monolayer SiO2 on Mo(1 1 2): A 2-D [Si-O-Si] network or isolated [SiO4] units?”
Authors:Livia Giordano  Gianfranco Pacchioni  Piero Ugliengo
Affiliation:a Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via R. Cozzi, 53, 20125, Milano, Italy
b Dipartimento di Chimica IFM, Università di Torino and NIS, Nanostructured Interfaces and Surfaces Centre of Excellence, Via P. Giuria 7, I-10125 Torino, Italy
Abstract:In a recent paper by Chen and Goodman [M. Chen, D.W. Goodman, Surf. Sci. 600 (2006) L255] the structure of SiO2 films epitaxially grown on Mo(1 1 2) has been revisited. This structure has been the subject of several experimental and theoretical studies but it is still controversial, with some authors claiming that it is formed by isolated [SiO4] units and others in favor of a two-dimensional [Si-O-Si] network. With this Comment we want do underline some aspects of the discussion, in particular related to the theoretical work performed so far on this subject, which in our opinion have not been properly represented in Ref. [M. Chen, D.W. Goodman, Surf. Sci. 600 (2006) L255].
Keywords:Oxide films   Vibrational spectra   SiO2   DFT calculations
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