Pure and Li-doped NiTiH: Potential anode materials for Li-ion rechargeable batteries
2013 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 103, no 3, 033902- p.Article in journal (Refereed) Published
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.
Engineering and Technology
IdentifiersURN: urn:nbn:se:uu:diva-206594DOI: 10.1063/1.4813596ISI: 000322146300131OAI: oai:DiVA.org:uu-206594DiVA: diva2:644694