Probing Li-Ni cation disorder in Li1-xNi1+x-yAl yO2 cathode materials by neutron diffraction

Lu Cai, Zengcai Liu, Ke An, Chengdu Liang

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42 Scopus citations

Abstract

Neutron diffraction is a unique technique to study Li-ion batteries because of its high sensitivity toward detecting lithium ions and ability to differentiate between different cations. This information is essential for understanding the subtle structure/property relationships of active electrode materials. In this study, neutron diffraction was utilized to probe the cation disorder in LiNiO2 with and without Al3+ substitution by different synthesis processes. The powder neutron diffraction revealed that a strong oxidizer rather than Al3+-doping greatly reduces Li + and Ni2+ mixing. The amount of Ni2+ at Li-site is 6% for Li1-x(Ni0.75Al0.25) 1+xO2 synthesized from excess LiOH, while it is only 0.6% for Li1-x(Ni0.75Al0.25)1+xO 2 which was synthesized from excess Li2O2. The reduction of Ni2+ at Li-sites greatly improves electrochemical performance. The substitution of Al3+ stabilizes the hexagonal lattice of Li1-xNi1+x-yAlyO2 even for highly lithium-deficient phases.

Original languageEnglish
Pages (from-to)A924-A928
JournalJournal of the Electrochemical Society
Volume159
Issue number7
DOIs
StatePublished - 2012

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