Hyperfine fields at the Li site in LiFePO(4)-type olivine materials for lithium rechargeable batteries: a (7)Li MAS NMR and SQUID study

Michael C Tucker; Marca M Doeff; Thomas J Richardson; Rita Fiñones; Elton J Cairns; Jeffrey A Reimer

doi:10.1021/ja017838m

Hyperfine fields at the Li site in LiFePO(4)-type olivine materials for lithium rechargeable batteries: a (7)Li MAS NMR and SQUID study

J Am Chem Soc. 2002 Apr 17;124(15):3832-3. doi: 10.1021/ja017838m.

Authors

Michael C Tucker¹, Marca M Doeff, Thomas J Richardson, Rita Fiñones, Elton J Cairns, Jeffrey A Reimer

Affiliation

¹ Environmental Energy Technologies Division, Materials Sciences Division, Ernest Orlando Lawrence Berkeley National Laboratory and Department of Chemical Engineering, University of California at Berkeley, California 94720, USA.

PMID: 11942811
DOI: 10.1021/ja017838m

Abstract

The (7)Li NMR isotropic shift for olivine LiMPO(4) (M = Fe, Mn, Co, Ni) is assigned to hyperfine coupling between the (7)Li nucleus and the transition metal unpaired electrons on the basis of the Curie-Weiss temperature dependence of the shift. The hyperfine shift arises from a linear combination of Li-O-M through-bond interactions wherein the unpaired A' electrons contribute a negative shift and the unpaired A' ' electrons contribute a positive shift. The hyperfine coupling constant is determined for each composition.