Neutron Diffraction Study of the Li-Ion Battery Cathode Li2FeP2O7

Barpanda, Prabeer; Rousse, Gwenaëlle; Tian, Ye; Ling, Chris D.; Mohamed, Zakiah; Klein, Yannick; Yamada, Atsuo

doi:10.1021/ic302816w

Cited by 34 publications

(19 citation statements)

References 39 publications

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“…When there are partial occupancies of Li5 and M3 occurred at Li5 sites in the pyrophosphates, the Li + diffusion pathways form a 3D network from two continuous but not interconnected 2D pathways [78]. The magnetic structure of this pyrophosphate Li 2 FeP 2 O 7 was reported by Barpanda et al [79] from neutron powder diffraction measurements, revealing that the magnetic moments of Fe1 and Fe3 sites are parallel to [100] follows a single-phase process for Li insertion/extraction with an extremely small volume difference of *0.7 % between the fully charged and discharged states. Generally, a larger strain during the charge/discharge process may lead to electrode materials undergoing large volume changes and destabilizing the contact between electrode and current collector, greatly limiting the cycling life and rate capability.…”

Section: Pyrophosphatesmentioning

confidence: 62%

Polyanion Compounds as Cathode Materials for Li-Ion Batteries

Guo

et al. 2015

Rechargeable Batteries

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The development of high energy density Li-ion batteries depends on finding electrode materials that can meet increasingly stringent demands, in particular cathode materials [1,2]. Cathodes are not only the primary factor producing the working potential of Li-ion batteries, but also determine the number of Li ions (i.e., the practical capacity) which can be utilized. Due to LiFePO 4 having succeeded as a prime example of high powered Li-ion battery material, polyanion-type compounds have attracted wide interests in the field of cathode research for the last two decades. Although polyanion compounds exhibit disadvantages of weight and volume (i.e., they have smaller theoretical gravimetric or volumetric capacities) compared with layered oxide compounds, their inherent advantages are also clear. They have very stable frameworks that provide long-term structural stability, which is essential for extensive cycling and combating safety issues. In addition, the chemical nature of polyanions allows the monitoring of a given M n+ /M (n−1)+ redox couple through the inductive effect introduced by Goodenough [3,4], and gives rise to higher voltage values versus Li + /Li 0 than in oxides. Finally, a large number of atomic arrangements and crystal structures can be adopted by polyanion compounds, which have an extreme versatility with respect to cation and anion substitutions for a given structural type.In the last two decades, compounds with different polyanion groups such as phosphates (PO 4 3− ), pyrophosphates (P 2 O 7 4− ), silicates(SiO 4 4− ), sulfates(SO 4 2− ), borates (BO 3 3− ) as well as their fluorinated compounds have been widely investigated in the literature. In this chapter, some recent studies of polyanion compounds for use in Li-ion batteries are introduced and summarized. Some review papers in this field can also be found in the literature [5,6]. Here, we mainly focus on the different polyanion compounds in use as cathode materials, except for olivine-type LiFePO 4 and its analogues.

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Section: Pyrophosphatesmentioning

confidence: 62%

Polyanion Compounds as Cathode Materials for Li-Ion Batteries

Guo

et al. 2015

Rechargeable Batteries

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“…Their identification was difficult due to the lack of accurate calculations of the hyperfine parameters. In several published papers only one doublet was ascribed to the combination of FeO 5 sites [8,13,26]. Taking into consideration the partial occupancy of the mixed-occupied sites established by the Rietveld refinement and the ratio of the relative areas of these two doublets (Table 3), we ascribed the doublet with the largest area, and also with a larger isomer shift and quadrupole splitting, to the Fe2 site.…”

Section: Accepted Manuscriptmentioning

confidence: 92%

“…So far, Li 2 FeP 2 O 7 or its composites with carbon have been synthesized in various ways, such as the conventional solid-state method [8][9][10][11][12], mechanochemically assisted solid state synthesis [13], combustion method [14], sol-gel method [15], spray pyrolysis [16], etc. The solid-state method is widely adopted in industry for the mass production of cathode materials due to its simplicity and low cost.…”

Section: Accepted Manuscriptmentioning

confidence: 99%

Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose

Jugović

Mitrić

Milović

et al. 2019

Journal of Alloys and Compounds

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A new method involving the homogeneous dispersion of precursor compounds inside a methylcellulose matrix is used for the synthesis of a composite powder of Li 2 FeP 2 O 7 and carbon.The properties of carbon-containing and carbon-free powders are studied by X-ray powder diffraction (XRD) including Rietveld refinement, Mössbauer spectroscopy, Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), galvanostatic cycling, and electrochemical impedance spectroscopy (EIS). The structure of both powders is refined in a monoclinic framework (space group P2 1 /c). The structural refinement and Mössbauer spectroscopy reveal different degrees of partial occupancy of mixed-occupied sites

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“…LiMPO 4 cathode materials for lithium-ion batteries [5][6][7][8][9][10][11][12][13][14][15][16][17][18].…”

Section: Introductionunclassified

“…So far, Li 2 FeP 2 O 7 as cathode for LIBs suffers from the low rate capability or poor cycling stability because of its low electronic and ionic conductivity [5][6][7][8][9][10][11][12][13][14][15][16][17][18]. As the counterpart of Li 2 FeP 2 O 7 , LiFePO 4 also showed the low electronic and ionic conductivity [3,6,7].…”

Section: Introductionmentioning

confidence: 99%

Study on Vanadium Substitution to Iron in Li2FeP2O7 as Cathode Material for Lithium-ion Batteries

Xu¹,

Chou²,

Gu³

et al. 2014

Electrochimica Acta

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Dou, S. (2014). Study on vanadium substitution to iron in Li2FeP 2O7 as cathode material for lithium-ion batteries. Electrochimica Acta, Study on vanadium substitution to iron in Li2FeP 2O7 as cathode material for lithium-ion batteries AbstractA series of Li2Fe1-3x/2VxP 2O7 (x = 0, 0.025, 0.05, 0.075, and 0.1) cathode materials for LIBs were prepared by the sol-gel method. Structural characterization of Li2Fe1-3x/2VxP2O7 (x = 0, 0.025, 0.05, 0.075, and 0.1) samples was conducted by synchrotron X-ray diffraction. The morphology and oxidation states of Fe2+ and V 3+ in the Li2Fe1-3x/2VxP 2O7 samples were confirmed by scanning electron microscopy and magnetic susceptibility measurements, respectively. The electrochemical measurements indicated that Li2Fe1-3x/2VxP 2O7 (x = 0.025) delivered the higher reversible capacity of 79.9 mAh g-1 at 1 C in the voltage range of 2.0 -4.5 V with higher 77.9% capacity retention after 300 cycles than those of Li 2FeP2O7 (48.9 mAh g-1 and 72.6%). Moreover, the rate capability of Li2Fe1-3x/2V xP2O7 (x = 0.025) were also significantly enhanced through vanadium substitution to iron of Li2Fe 1-3x/2VxP2O7. The vanadium substituted to Fe2 site of Li2FeP2O7 decreases Li occupying the Li5 position in the FeO5 unit, leading to a low degree exchange between Li and Fe in the MO5 (M = Li and Fe). The low degree cation disorder was beneficial to lithium-ion extraction/insertion during the charge-discharge process and hence enhances the capacity and rate capability. The low degree cation disorder was beneficial to lithium-ion extraction/insertion during the charge-discharge process and hence enhances the capacity and rate capability.1

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Neutron Diffraction Study of the Li-Ion Battery Cathode Li₂FeP₂O₇

Cited by 34 publications

References 39 publications

Polyanion Compounds as Cathode Materials for Li-Ion Batteries

Polyanion Compounds as Cathode Materials for Li-Ion Batteries

Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose

Study on Vanadium Substitution to Iron in Li2FeP2O7 as Cathode Material for Lithium-ion Batteries

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