| Stability and electronic properties of 3D covalent organic frameworks. | |
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MedLine Citation:
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PMID: 23212235 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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Covalent organic frameworks (COFs) are a class of covalently linked crystalline nanoporous materials, versatile for nanoelectronic and storage applications. 3D COFs, in particular, have very large pores and low mass densities. Extensive theoretical studies of their energetic and mechanical stability, as well as their electronic properties, have been carried out for all known 3D COFs. COFs are energetically stable and their bulk modulus ranges from 3 to 20 GPa. Electronically, all COFs are semiconductors with band gaps corresponding to the HOMO-LUMO gaps of the building units. |
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Authors:
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Binit Lukose; Agnieszka Kuc; Thomas Heine |
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Publication Detail:
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Type: JOURNAL ARTICLE Date: 2012-12-5 |
Journal Detail:
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Title: Journal of molecular modeling Volume: - ISSN: 0948-5023 ISO Abbreviation: J Mol Model Publication Date: 2012 Dec |
Date Detail:
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Created Date: 2012-12-5 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9806569 Medline TA: J Mol Model Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
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Center for Functional Nanomaterials, School of Engineering and Science, Jacobs University Bremen, Campus Ring 1, 28759, Bremen, Germany, b.lukose@jacobs-university.de. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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