Dramatic Differences between the Energy Landscapes of SiO and SiS Zeotype Materials.
The article discusses the energy landscape of tetrahedral sulfide (TS) materials, which carried out periodic density functional theory (DFT) calculations on SiS materials. It performed similar calculations on silicon dioxide versions of the same crystals where total energies and optimized geometries...
| Published in: | Journal of the American Chemical Society Vol. 129; no. 42; pp. 12588 - 12590 |
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| Main Authors: | , , |
| Format: | Article |
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American Chemical Society
10/24/2007
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| Subjects: | |
| Online Access: | View this record in EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=27422733&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 27422733 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 10/24/2007 vid: 129 iid: 42 pid: 997 pub: American Chemical Society artinfo: ui: 27422733 10.1021/ja0727666 ppf: 12588 ppct: 2 formats: tig: atl: Dramatic Differences between the Energy Landscapes of SiO and SiS Zeotype Materials. aug: au: Zwijnenburg, Martijn A. Corà, Furio Bell, Robert G. affil: Davy Faraday Research Laboratory, Royal Institution of Great Britain, 21 Albemarle Street, London W1S 4BS, U.K. Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K. su: Density functionals Silica Silicon compounds Functional analysis Physical sciences sug: subj: Density functionals Silica Silicon compounds Functional analysis Physical sciences ab: The article discusses the energy landscape of tetrahedral sulfide (TS) materials, which carried out periodic density functional theory (DFT) calculations on SiS materials. It performed similar calculations on silicon dioxide versions of the same crystals where total energies and optimized geometries of the different silicon dioxide and SiS materials were found. It inferred that targeting sulfide chemistry could highly productive in nanoporous structures. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2007 holdings: @attributes: islocal: N |
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