Lithium ion conductivity in single crystal LiFePO4

Li, Jiying; Yao, Wenlong; Martin, Steve W.; Vaknin, David

doi:10.1016/j.ssi.2008.06.028

Cited by 137 publications

(110 citation statements)

References 16 publications

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“…Recently, many studies on lithium iron phosphate have been published, mainly focused on the understanding and improvement of lithium-ion conduction in the active material (10)(11)(12). However, there are more physico-chemical processes which reduce the performance of LiFePO 4 -cells (13).…”

Section: Introductionmentioning

confidence: 99%

Evaluation of the Rate Determining Processes for LiFePO₄ as Cathode Material in Lithium-Ion-Batteries

et al. 2011

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Lithium iron phosphate is a promising cathode material for the use in lithium-ion batteries meeting the demands of good stability during cycling and safe operation due to reduced risk of thermal runaway. However, slow solid state diffusion and poor electrical conductivity reduce power capability. For further improvement, all rate determining electrode processes have to be quantified. Electrochemical impedance spectroscopy (EIS) has proven to be a powerful tool for the characterization of electrochemical systems. In recent publications (1,2), a physical interpretation for the impedance response of LiFePO 4 /Li-cells was given and an equivalent circuit model was proposed. In this contribution, the proposed equivalent circuit is used to quantify the predominant electrode processes depending on temperature (0°C…30°C), SoC (10% … 100%) and microstructure characteristics (porosity).

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Section: Introductionmentioning

confidence: 99%

Evaluation of the Rate Determining Processes for LiFePO₄ as Cathode Material in Lithium-Ion-Batteries

et al. 2011

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“…The relaxed volume is then fixed and equilibration continued for 150ps at each temperature followed by 600 ps (for T=600-1000K), 1 ns (for T=500K), or 3ns (for T = 400-300K) production runs in 1.5 fs steps [11,13]. When constructing the interface model based on relaxed structure models of LiFePO 4 and glassy Li 4 [24], but considerably higher than values reported by Li et al [25]. The simulated E A = 0.57eV for bulk Li .99 FePO4 is consistent with findings of various experimental and theoretical studies.…”

Section: Pathways In High Energy Lithium-ion Battery Cathode Materialmentioning

confidence: 97%

Modelling of Ion Transport in Solids with a General Bond Valence Based Force-Field

Adams

Rao

2011

Atom Indo.

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Electrode Lithium ion battery Lithium ion pathways Molecular dynamic method Solid electrolyteEmpirical bond length -bond valence relations provide insight into the link between structure of and ion transport in solid electrolytes. Building on our earlier systematic adjustment of bond valence (BV) parameters to the bond softness, here we discuss how the squared BV mismatch can be linked to the absolute energy scale and used as a general Morse-type interaction potential for analyzing low-energy pathways in ion conducting solid or mixed conductors either by an energy landscape approach or by molecular dynamics (MD) simulations. For a wide range of Lithium oxides we could thus model ion transport revealing significant differences to an earlier geometric approach. Our novel BV-based force-field has also been applied to investigate a range of mixed conductors, focusing on cathode materials for lithium ion battery (LIB) applications to promote a systematic design of LIB cathodes that combine high energy density with high power density. To demonstrate the versatility of the new BV-based force-field it is applied in exploring various strategies to enhance the power performance of safe low cost LIB materials (LiFePO 4 , LiVPO 4 F, LiFeSO 4 F, etc.).

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“…Naturally, the ME effect is invoked by the coupling among orbital, magnetic, and electrostatic degrees of freedom that have been at the forefront of recent research in condensed matter physics. Prominent examples of such coupling have been found in the iron-and copper-based unconventional superconductors 7,8 , the giant magnetoresistance in Mnbased oxides 9,10 , or the magnetoelectric effect in transition metal oxides 11,12 . Whilst the physical mechanisms linking these degrees of freedom may be unclear in general, for many magnetoelectric materials it is accepted that the spin-orbit coupling (SOC) drives the coupling between the magnetic and structural or electric order parameters 13 .…”

Section: Introductionmentioning

confidence: 99%

Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

Yiu¹,

Le²,

Toft-Petersen³

et al. 2017

Phys. Rev. B

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We report on the spin waves and crystal field excitations in single crystal LiFePO4 by inelastic neutron scattering over a wide range of temperatures, below and above the antiferromagnetic transition of this system. In particular, we find extra excitations below TN = 50 K that are nearly dispersionless and are most intense around magnetic zone centers. We show that these excitations correspond to transitions between thermally occupied excited states of Fe 2+ due to splitting of the S = 2 levels that arise from the crystal field and spin-orbit interactions. These excitations are further amplified by the highly distorted nature of the oxygen octahedron surrounding the iron atoms. Above TN , magnetic fluctuations are observed up to at least 720 K, with an additional inelastic excitation around 4 meV, which we attribute to single-ion effects, as its intensity weakens slightly at 720 K compared to 100 K, which is consistent with the calculated cross-sections using a single-ion model. Our theoretical analysis, using the MF-RPA model, provides both detailed spectra of the Fe d− shell and estimates of the average ordered magnetic moment and TN . By applying the MF-RPA model to a number of existing spin-wave results from other LiM PO4 (M = Mn, Co, and Ni), we are able to obtain reasonable predictions for the moment sizes and transition temperatures.

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Lithium ion conductivity in single crystal LiFePO4

Cited by 137 publications

References 16 publications

Evaluation of the Rate Determining Processes for LiFePO₄ as Cathode Material in Lithium-Ion-Batteries

Evaluation of the Rate Determining Processes for LiFePO₄ as Cathode Material in Lithium-Ion-Batteries

Modelling of Ion Transport in Solids with a General Bond Valence Based Force-Field

Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

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Lithium ion conductivity in single crystal LiFePO4

Cited by 137 publications

References 16 publications

Evaluation of the Rate Determining Processes for LiFePO4 as Cathode Material in Lithium-Ion-Batteries

Evaluation of the Rate Determining Processes for LiFePO4 as Cathode Material in Lithium-Ion-Batteries

Modelling of Ion Transport in Solids with a General Bond Valence Based Force-Field

Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

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Evaluation of the Rate Determining Processes for LiFePO₄ as Cathode Material in Lithium-Ion-Batteries

Evaluation of the Rate Determining Processes for LiFePO₄ as Cathode Material in Lithium-Ion-Batteries