Temperature Dependence of the Potential-Composition Profiles of Li[sub x]Mn[sub 2]O[sub 4] Spinel

Abiko, Hironobu

doi:10.1149/1.1390655

Cited by 20 publications

(17 citation statements)

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“…Kudo et al [10,11] explained the variation of the potential (E) with lithium composition x in LixMn204 (0<x<l) using Bethe theory based on Ising model which is a statistical thermodynamic model. They [10] …”

Section: Lithium Intercalation Into Lithium Manganese Spinelmentioning

confidence: 99%

Structural stability in partially substituted lithium manganese spinel oxide cathode

Wakihara

Ikuta

Uchimoto

2002

Ionics

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Abstract. LiMn204 is one of the most promising cathode materials for lithium secondary battery because of natural abundance of manganese in the crust and its low toxicity to environment.Lithium ion can almost reversibly intercalate into or deintercalate fxom lithium manganese spinel oxide LiMn204. A part of substitution of manganese with other transition metals brings the improvement of cycle life. We focused on the local structure of the spinels and considered the effect of the local distortion on the cycle life of the spinel cathodes.

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Section: Lithium Intercalation Into Lithium Manganese Spinelmentioning

confidence: 99%

Structural stability in partially substituted lithium manganese spinel oxide cathode

Wakihara

Ikuta

Uchimoto

2002

Ionics

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“…Figure 5.4 represents the electrode potential versus lithium content curve and the plots of (1 À d) 1 and (1 À d) 2 with respect to (1 À d) calculated for the case of U ¼ À4.12 eV, J 1 ¼ 37.5 meV (repulsive interaction), J 2 ¼ À4.0 meV (attractive interaction), and T ¼ 298 K for Li 1Àd Mn 2 O 4 . The theoretical electrode potential curve shows a steep potential drop at (1 À d) ¼ 0.5, which is typical for ordering of lithium ions due to their strong interaction [15,20,22,23]. The order-disorder phase transition occurs at the boundaries where (1 À d) 1 and (1 À d) 2 begin to deviate severely from (1 À d) values of approximately 0.15 and 0.85.…”

Section: Application Of Lattice Gas Model With Mean Field Approximationmentioning

confidence: 99%

“…In order to model the thermodynamics of lithium intercalation/deintercalation accounting for the ion interaction, a lattice gas model based on the mean field theory with several approximations for transition metal oxides [15,[19][20][21][22][23] and graphite [24] was applied. First, a Bragg-Williams approximation [19] was used for the structural analysis of LiNiO 2 including an order-disorder transition caused by a strong interaction between cations in the lattice.…”

Section: Application Of Lattice Gas Model With Mean Field Approximationmentioning

confidence: 99%

“…Pyun et al [16] reported the electrode potential E versus lithium content (1 À d) curve and the plots of (1 À d) 1 and (1 À d) 2 with respect to (1 À d), theoretically obtained by the Monte Carlo simulations with J 1 ¼ 37.5 meV (repulsive interaction), J 2 ¼ À 4.0 meV (attractive interaction), e ¼ 4.12 eV and T ¼ 298 K for Li 1Àd Mn 2 O 4 , as shown in Figure 5.6. As the lithium content increases, the theoretical electrode potential curve shows a steep potential drop at (1 À d) ¼ 0.5, typical for lithium ordering [15,20,22,23]. This ordering can be envisaged by considering the difference between (1 À d) 1 For the thermodynamic second-order transition it might be expected that the susceptibility of the lattice gas, which is strongly related to Var(N), diverges at the transition points [34], and hence it is possible to establish the phase diagram for the order-disorder transition in LiMn 2 O 4 , as shown in Figure 5.8.…”

Section: Application Of Lattice Gas Model With Monte Carlo Simulationmentioning

confidence: 99%

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The Fundamentals and Advances of Solid‐State Electrochemistry: Intercalation (Insertion) and Deintercalation (Extraction) in Solid‐State Electrodes

Kim

Lee

Pyun

2009

Solid State Electrochemistry I

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Over several decades, solid-state electrodes in which reversible intercalation (insertion) and deintercalation (extraction) of cationic guest atoms occur along with accompanying electron flow without any change of their crystal structure, have attracted great interest in fundamental and practical perspectives for improving the performance of rechargeable batteries. This chapter provides comprehensive reviews of principle and recent advances especially in thermodynamic and kinetic approaches to lithium intercalation into, and deintercalation from, transition metals oxides and carbonaceous materials. Thermodynamic properties such as chemical potential, entropy and enthalpy of lithium intercalation/deintercalation are first discussed, based on a lattice gas model with various approximations. Lithium intercalation/deintercalation involving an order-disorder transition or a two-phase coexistence caused by strong interaction of lithium ions in solid-state electrodes is explained, based on the lattice gas model and with the help of computational methods. Second, the kinetics of lithium intercalation/ deintercalation is treated in detail on the basis of a cell-impedance-controlled model. Anomalous features of potentiostatic current transients obtained experimentally from transitional metal oxide and carbonaceous electrodes, which are hardly explained under a diffusion control model, are readily analyzed by the cell-impedancecontrolled lithium transport concept, with the aid of computational methods. IntroductionWhen cationic guest atoms such as lithium, hydrogen, and sodium reversibly enter or leave the host oxide crystal, along with an accompanying electron flow but without any change in crystal structure, the reaction is referred to as intercalation/ deintercalation as follows [1,2]::1Þ Solid State Electrochemistry I: Fundamentals, Materials and their Applications. Edited by Vladislav V. Kharton

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“…It is therefore plausible to assume that repulsions are between nearest neighbors, the pair interaction energy u ϳ30-70 meV. 7 With each site i we associate a variable p i , which is unity if the site is occupied and zero otherwise. The repulsive energy of an arbitrary configuration is…”

Section: Modelmentioning

confidence: 99%

Role of elasticity forces in thermodynamics of intercalation compounds: Self-consistent mean-field theory and Monte Carlo simulations

Kalikmanov

Leeuw

2002

The Journal of Chemical Physics

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We propose a self-consistent mean-field lattice-gas theory of intercalation compounds based on effective interactions between interstitials in the presence of the host atoms. In addition to short-range screened Coulomb repulsions, usually discussed in the lattice gas models, the present theory takes into account long-range effective attractions between intercalants due to elasticity of the host matrix. The mean-field phase diagram in the space of interaction parameters contains the domains of first-and second-order transitions of the order-disorder type, separated by a tricritical line, and the domain of the first-order transition of the gas-liquid-type separated from the homogeneous state by a critical line. Theoretical predictions are shown to be in qualitative agreement with the grand canonical Monte Carlo simulations. The peculiarities of the phase diagram give an insight into different types of behavior of the open circuit voltage observed in rechargeable batteries, in which an intercalation compound is used as an electrode material.

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Temperature Dependence of the Potential-Composition Profiles of Li[sub x]Mn[sub 2]O[sub 4] Spinel

Cited by 20 publications

References 0 publications

Structural stability in partially substituted lithium manganese spinel oxide cathode

Structural stability in partially substituted lithium manganese spinel oxide cathode

The Fundamentals and Advances of Solid‐State Electrochemistry: Intercalation (Insertion) and Deintercalation (Extraction) in Solid‐State Electrodes

Role of elasticity forces in thermodynamics of intercalation compounds: Self-consistent mean-field theory and Monte Carlo simulations

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