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Modeling vitreous silica bilayers

Abstract:

Theoretical modeling is presented for a freestanding vitreous silica bilayer which has recently been synthesized and characterized experimentally in landmark work. While such two-dimensional continuous random covalent networks should likely occur on energetic grounds, no synthetic pathway had been discovered previously. Here the bilayer is modeled using a computer assembly procedure initiated from a single layer of a model of amorphous graphene, generated using a bond-switching algorithm from...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevB.87.214108

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
PHYSICAL REVIEW B
Volume:
87
Issue:
21
Publication date:
2013-06-26
DOI:
EISSN:
1550-235X
ISSN:
1098-0121
URN:
uuid:f268fb65-0362-4cce-8ffa-f237e73a1985
Source identifiers:
411592
Local pid:
pubs:411592
Language:
English

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