Hello, A change in allocation has been requested: Requester: rbenedek (Roy Benedek) Project: LiBattModeling Title: Lithium-Ion Battery Electrode Modeling Description: Composite materials with composition xLi2MnO3•(1-x)LiMO2, where M=mixtures of Mn, Co, Ni, etc., show high initial capacity, however, the voltage degrades with cycling, a severe drawback for commercial applications. Our modeling is directed at characterization of the atomic-scale instabilities that lead to voltage fade, and to identify compositions that inhibit the fade. Our previous work has suggested that Mn is unstable with respect to migration from octahedral to tetrahedral sites in the presence of oxygen vacancies that are created during the first charge. Our strategy is to replace the Mn in the Li2MnO3 component of the material with a late transition metal that has a stable pentavalent oxidation state in an octahedral environment, which would help stabilize against oxygen loss during the first charge. An ideal candidate M’ (to replace Mn) would be one that (a) forms a composite xLi2M’O3•(1-x)LiMO2 in which the majority of M’ resides in Li2M’O 3 domains; (b) is stable with respect to migration to tetrahedral sites in the Li2-xM’O3 structure in both 4+ and 5+ states; and (c) M’ ions dissolved in the LiMO2 component of the structure would be stable with respect to migration from octahedral to tetrahedral sites in the delithiated state. The candidate M’ elements include V, Cr, Fe, Mo, Ru. Current: undetermined amount Justification: Requested: 1000 A specific reason has been given: My collaborator, Hakim Iddir, has added me as a user on his account, which should satisfy my needs, so please disregard my request (earlier today) for an additional allocation during the current FY. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System