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Pure and Li-doped NiTiH: Potential anode materials for Li-ion rechargeable batteries
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy. (Condensed Matter Theory Group)
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2013 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 103, no 3, 033902- p.Article in journal (Refereed) Published
Abstract [en]

Pure and Li-doped NiTiH hydrides have been explored for their potential applications as anode materials for Li-ion batteries using density functional theory. The diffusion of Li-ion through pure NiTiH lattice has revealed a big enhancement at 600 K with the diffusion coefficient estimated to be 2.3 x 10(-10) m(2) s(-1) or so. The most thermodynamically stable Li-doped NiTiH material has been ascertained, which evidently shows enhanced electrochemical capacity and a minor increase in voltage and unit-cell volume with respect to pure NiTiH.

Place, publisher, year, edition, pages
2013. Vol. 103, no 3, 033902- p.
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Engineering and Technology
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URN: urn:nbn:se:uu:diva-206594DOI: 10.1063/1.4813596ISI: 000322146300131OAI: oai:DiVA.org:uu-206594DiVA: diva2:644694
Available from: 2013-09-02 Created: 2013-09-02 Last updated: 2017-12-06Bibliographically approved

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Ahuja, Rajeev

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