Browsing by Author "Li, HH"

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    In situ neutron-diffraction study of the Ti38V30Cr14Mn18 structure during hydrogenation
    (Elsevier Science BV, 2013-11-01) Fei, Y; Kong, X; Wu, Z; Li, HH; Peterson, VK
    The phase transformations of the Ti38V30Cr14Mn18 alloy during hydrogenation and dehydrogenation using deuterium (D2) were investigated using in situ neutron powder diffraction (NPD) at various D2 pressures up to 2 MPa. Initially, the first hydride that formed, Ti38V30Cr14Mn18D15, had the same body centered cubic (BCC) crystal structure as the starting alloy. Upon further hydrogenation, the system displays a distinct two-phase mixture of the intermediate BCC and body-centered tetragonal (BCT) phases, that exist in a ration of 1.38:1.42, respectively. At the end of the deuterium absorption, the phase pure Ti38V30Cr14Mn18D183 material forms, with a face-centered cubic (FCC) structure. Upon dehydrogenation, all hydride phases eventually returned to the initial alloy phase without any amorphization or disproportionation. Using standard Rietveld refinement, information on the variation of the deuterium site occupancy, the lattice symmetry, and the cell volume were determined during these phase changes and are presented. © 2013, Elsevier Ltd.
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    Non-stoichiometric Mn doping in olivine lithium iron phosphate: structure and electrochemical properties
    (Australian Institute of Physics, 2011-02-02) Feng, C; Li, HH; Du, GD; Guo, ZP; Sharma, N; Peterson, VK; Li, HJ
    LiFePO4 and [Li0.918(10)Fe0.01][Fe0.99Mn0.01]PO4 or 1% Mn-doped LiFePO4 were synthesized by the one-step rheological phase reaction method using inexpensive FePO4 as the main raw material. Synchrotron X-ray diffraction, neutron powder diffraction, and transmission electron microscopy were used to characterize LiFePO4 and Mn-doped LiFePO4. Particle sizes were found to be distributed in the range of 0.5 to 1 μm and the carbon-content in the as-prepared samples was around 2 wt%. Rietveld analysis suggests 1 % Mn-doping replaces 1 % Fe from the Fe (M2) site and places this fraction of Fe on the Li (M1) site. The first process on the M2 site is isovalent doping (Mn2+ for Fe2+), while the second process on M2 is supervalent doping (Fe2+ for Li+). The second process requires that Li vacancies exist for charge balance and our simultaneous refinements against neutron and synchrotron X-ray diffraction data indicate an amount of Li vacancies consistent with this requirement. This doping regime agrees with the observed enhancement of the electrochemical properties of the Mn-doped LiFePO4 compared to the undoped LiFePO4. The Mn-doped LiFePO4 cathodes exhibit higher capacity and better cycling performance than the pure LiFePO4.