Integrated investigation of the Li4Ti5O12 phase stability

Asadikiya, Mohammad; Zhu, Yuexing; Gopalan, Srikanth; Chuang, Yu cheng; Tsai, Ping Chun; Nasara, Ralph Nicolai; Lin, Shih‐kang; Zhong, Yu

doi:10.1007/s11581-017-2248-x

Cited by 10 publications

(6 citation statements)

References 40 publications

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“…The absence of impurity phases is indicative of single-phase spinel LTO which is necessary for the kinetics study of the interface between the LTO electrode and the electrolyte solutions. [39] SEM images reveal a rather rough surface with grain sizes of sub-200 nm (Figure 1b). To further confirm, the quality of the prepared LTO thin films the charge-discharge profile between 3.0 and 1.0 V is shown in Figure 1c.…”

Section: Methodsmentioning

confidence: 99%

Charge‐Transfer Kinetics of The Solid‐Electrolyte Interphase on Li₄Ti₅O₁₂Thin‐Film Electrodes

Nasara

Kondo

et al. 2020

ChemSusChem

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Charge‐transfer kinetics between electrodes and electrolytes critically determines the performance of lithium‐ion batteries (LIBs). Lithium titanate defect spinel (Li4Ti5O12, LTO) is a safe and durable anode material, but its relatively low energy density limits the range of applications. Utilizing the low potential region of LTO is a straightforward strategy for increasing energy density. However, the electrochemical characteristics of LTO at low potentials and the properties of the solid‐electrolyte interphase (SEI) on LTO are not well understood. Here, we investigate the charge‐transfer kinetics of the SEI formed between model LTO thin‐film electrodes and organic electrolytes with distinct solvation ability using AC impedance spectroscopy whereas their stability was assessed by cyclic voltammetry of ferrocene. With the SEI film on LTO, the Li+ desolvation was rate‐determining step but with larger activation energies, which showed a strong dependence on the solvation ability of electrolyte. The activation energies of desolvation for the fluoroethylene carbonate+dimethyl carbonate‐ and ethylene carbonate+diethyl carbonate‐based systems increased from 35 and 55 to 44 and 67 kJ mol−1, respectively, and that for the propylene carbonate‐based system did not noticeably change at around 67 kJ mol−1. In addition, the SEI passivation of LTO was much slower than that of graphite, and the rate also strongly depended on the solvation ability of the electrolyte. Understanding the surface properties of LTO at low potentials opens the door for high‐energy‐density LTO‐based LIBs.

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Section: Methodsmentioning

confidence: 99%

Charge‐Transfer Kinetics of The Solid‐Electrolyte Interphase on Li₄Ti₅O₁₂Thin‐Film Electrodes

Nasara

Kondo

et al. 2020

ChemSusChem

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“…Asadikiya et al [69] compared the choice of functionals based on LDA, GGA-PBE, and PW91 to calculate the phase stability by constructing the ab initio convex hulls of Li 2 O-TiO 2 and Li 2 TiO 3 -TiO 2 shown in Fig. 5.…”

Section: Assessing the Reliability Of The Structurementioning

confidence: 99%

Recent Developments in Using Computational Materials Design for High-Performance Li4Ti5O12 Anode Material for Lithium-Ion Batteries

Nasara

Lin

2019

Multiscale Sci. Eng.

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By using knowledge of the fundamental laws of physics, we can determine multiple structural, and electronic property relationships that can be used as complementary guides in obtaining improved experimental information. Computational materials design allows us to fabricate optimized materials based on the understanding of key atomistic processes. In this review, we present an up to date summary of the computational approaches using first principles (ab initio) aimed at designing better lithium titanate oxide Li 4 Ti 5 O 12 as anode material for lithium-ion batteries, and some key challenges and opportunities that lie ahead.

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“…As an effective method to synthesize materials with topological structure, molten salt synthesis can help prepare LTO directly from the feedstocks containing Li, Ti and O (TiO 2 , Li 2 CO 3 and LiOH, etc). [28][29][30][31][32][33] Self-doping of Ti 3+ ions into the spinel structure is feasible in molten salt. Furthermore, high-temperature calcination occurred during solid-state synthesis and the organic solvents used in sol-gel method are avoided.…”

Section: Introductionmentioning

confidence: 99%

“…The utilization of hydrogen is a relatively complicated process in industrial applications. As an effective method to synthesize materials with topological structure, molten salt synthesis can help prepare LTO directly from the feedstocks containing Li, Ti and O (TiO 2 , Li 2 CO 3 and LiOH, etc) 28–33 . Self‐doping of Ti 3+ ions into the spinel structure is feasible in molten salt.…”

Section: Introductionmentioning

confidence: 99%

Chemically driven synthesis of Ti³⁺ self‐doped Li₄Ti₅O₁₂ spinel in molten salt

et al. 2020

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Surface doping of Li 4 Ti 5 O 12 (LTO) with Ti 3+ ions is an effective way to enhance its electrochemical properties for lithium ion batteries (LIBs). Herein, a molten salt approach was reported to synthesize Ti 3+ self-doped LTO powder. The reaction mechanism and the role of molten salt for the synthesis have been systemically discussed. Finally, electrochemical performance of the LTO powder was preliminarily evaluated as anode material of LIBs. The molten salt accelerated the mass transportation for the formation of LTO by transferring a solid diffusion to the diffusion of ions in a liquid media. Self-doping of Ti 3+ ions on the surface of LTO particles was achieved by controlling equilibriums of chemical reactions in the reactor. Electrochemical performance of the LTO powders was effectively promoted by doping Ti 3+ ions on the surface. The discharge capacity of the Ti 3+ self-doped LTO powder prepared at 850°C was 171 mAhg −1 , and the capacity dacayed 9.9% after 200 cycles at a rate of 0.5 C. K E Y W O R D S kinetics, Li 4 Ti 5 O 12 , Li-ion batteries, molten salt, Ti 3+ doping 754 | XIE Et al.

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Integrated investigation of the Li4Ti5O12 phase stability

Cited by 10 publications

References 40 publications

Charge‐Transfer Kinetics of The Solid‐Electrolyte Interphase on Li₄Ti₅O₁₂Thin‐Film Electrodes

Charge‐Transfer Kinetics of The Solid‐Electrolyte Interphase on Li₄Ti₅O₁₂Thin‐Film Electrodes

Recent Developments in Using Computational Materials Design for High-Performance Li4Ti5O12 Anode Material for Lithium-Ion Batteries

Chemically driven synthesis of Ti³⁺ self‐doped Li₄Ti₅O₁₂ spinel in molten salt

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Integrated investigation of the Li4Ti5O12 phase stability

Cited by 10 publications

References 40 publications

Charge‐Transfer Kinetics of The Solid‐Electrolyte Interphase on Li4Ti5O12Thin‐Film Electrodes

Charge‐Transfer Kinetics of The Solid‐Electrolyte Interphase on Li4Ti5O12Thin‐Film Electrodes

Recent Developments in Using Computational Materials Design for High-Performance Li4Ti5O12 Anode Material for Lithium-Ion Batteries

Chemically driven synthesis of Ti3+ self‐doped Li4Ti5O12 spinel in molten salt

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Charge‐Transfer Kinetics of The Solid‐Electrolyte Interphase on Li₄Ti₅O₁₂Thin‐Film Electrodes

Charge‐Transfer Kinetics of The Solid‐Electrolyte Interphase on Li₄Ti₅O₁₂Thin‐Film Electrodes

Chemically driven synthesis of Ti³⁺ self‐doped Li₄Ti₅O₁₂ spinel in molten salt