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Ab initio calculation of the voltage profile for LiC6

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dc.contributor.author Kganyago, KR en_US
dc.contributor.author Ngoepe, PE en_US
dc.contributor.author Catlow, CRA en_US
dc.date.accessioned 2007-01-20T12:37:34Z en_US
dc.date.accessioned 2007-06-07T10:01:57Z
dc.date.available 2007-01-20T12:37:34Z en_US
dc.date.available 2007-06-07T10:01:57Z
dc.date.copyright en_US
dc.date.issued 2003-03 en_US
dc.identifier.citation Kganyago, KR, Ngoepe, PE and Catlow, CRA. 2003. Ab initio calculation of the voltage profile for LiC6. Solid State Ionics, vol. 159, 2 January, pp 21-23 en_US
dc.identifier.issn 0167-2738 en_US
dc.identifier.uri http://hdl.handle.net/10204/1429 en_US
dc.identifier.uri http://hdl.handle.net/10204/1429
dc.description.abstract Energetics of the anode system LiC6 compared to metallic lithium is calculated within the framework of local-density functional theory (LDA-DFT) techniques. Our results suggest that the energy of anode intercalation results in a small change to the cell voltage. en_US
dc.format.extent 85378 bytes en_US
dc.format.mimetype application/pdf en_US
dc.language.iso en en_US
dc.publisher Elsevier Science BV en_US
dc.rights Copyright: 2005 Elsevier Science BV en_US
dc.source en_US
dc.subject Ab initio calculations en_US
dc.subject Density functional theory en_US
dc.subject Anode intercalations en_US
dc.subject LiC6 en_US
dc.subject LDA-DFT en_US
dc.subject Physics en_US
dc.subject Chemistry en_US
dc.subject Li battery system en_US
dc.title Ab initio calculation of the voltage profile for LiC6 en_US
dc.type Article en_US
dc.identifier.apacitation Kganyago, K., Ngoepe, P., & Catlow, C. (2003). Ab initio calculation of the voltage profile for LiC6. http://hdl.handle.net/10204/1429 en_ZA
dc.identifier.chicagocitation Kganyago, KR, PE Ngoepe, and CRA Catlow "Ab initio calculation of the voltage profile for LiC6." (2003) http://hdl.handle.net/10204/1429 en_ZA
dc.identifier.vancouvercitation Kganyago K, Ngoepe P, Catlow C. Ab initio calculation of the voltage profile for LiC6. 2003; http://hdl.handle.net/10204/1429. en_ZA
dc.identifier.ris TY - Article AU - Kganyago, KR AU - Ngoepe, PE AU - Catlow, CRA AB - Energetics of the anode system LiC6 compared to metallic lithium is calculated within the framework of local-density functional theory (LDA-DFT) techniques. Our results suggest that the energy of anode intercalation results in a small change to the cell voltage. DA - 2003-03 DB - ResearchSpace DP - CSIR KW - Ab initio calculations KW - Density functional theory KW - Anode intercalations KW - LiC6 KW - LDA-DFT KW - Physics KW - Chemistry KW - Li battery system LK - https://researchspace.csir.co.za PY - 2003 SM - 0167-2738 T1 - Ab initio calculation of the voltage profile for LiC6 TI - Ab initio calculation of the voltage profile for LiC6 UR - http://hdl.handle.net/10204/1429 ER - en_ZA


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