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Title: Investigating the Mechanism of Reversible Lithium Insertion into Anti-NASICON Fe 2(WO 4) 3

The gram-scale preparation of Fe 2(WO 4) 3 by a new solution-based route and detailed characterization of the material are presented. The resulting Fe 2(WO 4) 3 undergoes a reversible electrochemical reaction against lithium centered around 3.0 V with capacities near 93% of the theoretical maximum. Evolution of the Fe 2(WO 4) 3 structure upon lithium insertion and deinsertion is probed using a battery of characterization techniques, including in situ X-ray diffraction, neutron total scattering, and X-ray absorption spectroscopy (XAS). A structural transformation from monoclinic to orthorhombic phases is confirmed during lithium intercalation. XAS and neutron total scattering measurements verify that Fe 2(WO 4) 3 consists of trivalent iron and hexavalent tungsten ions. As lithium ions are inserted into the framework, iron ions are reduced to the divalent state, while the tungsten ions are electrochemically inactive and remain in the hexavalent state. Lastly, lithium insertion occurs via a concerted rotation of the rigid polyhedra in the host lattice driven by electrostatic interactions with the Li + ions; the magnitude of these polyhedral rotations was found to be slightly larger for Fe 2(WO 4) 3 than for the Fe 2(MoO 4) 3 analog.
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  1. Univ. of Southern California, Los Angeles, CA (United States). Dept. of Chemistry
Publication Date:
Grant/Contract Number:
SC0006812; FG02-11ER46826; DMR-1554204; AC02-06CH11357; AC05-00OR22725
Accepted Manuscript
Journal Name:
ACS Applied Materials and Interfaces
Additional Journal Information:
Journal Volume: 9; Journal Issue: 12; Journal ID: ISSN 1944-8244
American Chemical Society (ACS)
Research Org:
Univ. of Southern California, Los Angeles, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
Country of Publication:
United States
25 ENERGY STORAGE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; battery; lithium ion; intercalation; NASICON; tungstate
OSTI Identifier: