Quasi Elastic Neutron Scattering on Li2VO2F, a high performance electrode material for lithium ion battery
The proposed experiments aim to obtain detailed atomic scale information about mechanisms governing the lithiation/delithiation of the new promising Li2VO2F cathode material for lithium batteries. This is a novel cathode material with unprecedented high capacity and energy density (462 mAh/g, 1000 Wh/ kg respectively). In comparison to previously reported vanadium-based compounds, the lithium insertion reaction is reversible. We want to gain an understanding of lattice reordering and stabilisation resulting from ion migration during charge/discharge reactions. We anticipate that the mobility of vanadium is a key parameter, assuring the stability of the crystal structure during the delithiation and therefore its reversibility. Vanadium atoms could move to the free lithium lattice sites, jumping to the defect sites to accommodate its oxidation state. To confirm this hypothesis we would like to study the vanadium dynamics in Li2-xVO2F with different stoichiometry, fully lithiated (x=0), half lithiated(x=1) and nearly fully delithiated (x~1.7). We will combine (QENS) with DFT calculation to investigate the vanadium jump diffusion and the lattice site migration.
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BLANCHARD Didier; AMRI Mahrez and Bernhard Frick. (2015). Quasi Elastic Neutron Scattering on Li2VO2F, a high performance electrode material for lithium ion battery. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-03-146
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