Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering

Hafiz, Hasnain; Suzuki, Kosuke; Barbiellini, B.; Orikasa, Yuki; Callewaert, Vincent; Kaprzyk, S.; Itou, M.; Yamamoto, Kentaro; Yamada, Ryota; Uchimoto, Yoshiharu; Sakurai, Y.; Sakurai, Hiroshi; Bansil, Arun

doi:10.1126/sciadv.1700971

Cited by 30 publications

(29 citation statements)

References 53 publications

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“…However, the spatial resolution is limited as compared with X-ray source (Wang et al, 2012 (Suzuki et al, 2015;Barbiellini et al, 2016;Hafiz et al, in submitted) and developing in-operando quantitation method of Li ions by using high-energy X-ray Compton scattering spectroscopy. The merits of Compton scattering technique are that Compton scattering experiment yield bulk observations on working batteries since the X-ray photons reaching over 100 keV were used as incident beam, and these photons can penetrate deep into materials, including closed electrochemical cells and Compton scattered energy spectrum, so-called Compton profile, have specific line-shape by each element.…”

Section: Introductionmentioning

confidence: 99%

In operando quantitation of Li concentration for a commercial Li-ion rechargeable battery using high-energy X-ray Compton scattering

Suzuki

Ishikawa

et al. 2017

J Synchrotron Radiat

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Compton scattering is one of the promising probe to quantitate of the Li under in-operando condition, since high-energy X-rays which have high penetration power into the materials are used as incident beam and Compton scattered energy spectrum have specific line-shape by the elements. We develop in-operando quantitation method of Li composition in the electrodes by using line-shape (Sparameter) analysis of Compton scattered energy spectrum. In this study, we apply S-parameter analysis to commercial coin cell Li-ion rechargeable battery and obtain the variation of S-parameters during charge/discharge cycle at positive and negative electrodes. By using calibration curves for Li composition in the electrodes, we determine the change of Li composition of positive and negative electrodes through S-parameters, simultaneously.

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Section: Introductionmentioning

confidence: 99%

In operando quantitation of Li concentration for a commercial Li-ion rechargeable battery using high-energy X-ray Compton scattering

Suzuki

Ishikawa

et al. 2017

J Synchrotron Radiat

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“…LiFePO 4 is regarded as one of the most important cathode materials for large‐scale energy‐storage applications, such as electric vehicles and grids, due to its high safety performance and long cycle life . Here, we employed LiFePO 4 as the cathode and SR‐G‐Li as the anode to assemble a high‐performance LiMB (LiFePO 4 /SR‐G‐Li).…”

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confidence: 99%

A Scalable Approach to Dendrite‐Free Lithium Anodes via Spontaneous Reduction of Spray‐Coated Graphene Oxide Layers

et al. 2018

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Li-metal batteries (LiMBs) are experiencing a renaissance; however, achieving scalable production of dendrite-free Li anodes for practical application is still a formidable challenge. Herein, a facile and universal method is developed to directly reduce graphene oxide (GO) using alkali metals (e.g., Li, Na, and K) in moderate conditions. Based on this innovation, a spontaneously reduced graphene coating can be designed and modulated on a Li surface (SR-G-Li). The symmetrical SR-G-Li|SR-G-Li cell can run up to 1000 cycles at a high practical current density of 5 mA cm without a short circuit, demonstrating one of the longest lifespans reported with LiPF -based carbonate electrolytes. More significantly, a practically scalable paradigm is established to fabricate dendrite-free Li anodes by spraying a GO layer on the Li anode surface for large-scale production of LiFePO /Li pouch cells, reflected by the continuous manufacturing of the SR-G-Li anodes based on the roll-to-roll technology. The strategy provides new commercial opportunities to both LiMBs and graphene.

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“…Recent investigations [3][4][5][6][7] aimed at studying LFP have combined x-ray spectroscopy and theoretical modeling to monitor the evolution of the redox orbitals in nanoparticles and single-crystal LFP cathodes under different lithiation levels. These studies have provided advanced characterizations techniques for cathodes such as general methods for understanding the relation between lattice distortions and potential shifts [6]. Recent review [8] summarizes the status and perspectives of LIB cathodes based on the olivine structure, including LFP.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study of the Impact of Grain Boundary Formation in the Cathode Material LiFePO4

2019

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Motivated by the need to understand the role of internal interfaces in Li migration occurring in Li-ion batteries, a first principles study of a coincident site lattice grain boundary in LiFePO4 cathode material and in its delithiated counterpart FPO4 is performed. The structure of the investigated grain boundary is obtained and the corresponding interface energy is calculated. Other properties, such as ionic charges and magnetic moments, excess free volume and the lifetime of positrons trapped at the interfaces, are determined and discussed. The results show that while the grain boundary in LiFePO4 has desired structural and bonding characteristics, the analogous boundary in FePO4 needs to be yet optimized to allow for an efficient Li diffusion study.

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Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering

Abstract: A spectroscopic descriptor of the link between lattice distortion and voltage in Li battery materials.

Cited by 30 publications

References 53 publications

In operando quantitation of Li concentration for a commercial Li-ion rechargeable battery using high-energy X-ray Compton scattering

In operando quantitation of Li concentration for a commercial Li-ion rechargeable battery using high-energy X-ray Compton scattering

A Scalable Approach to Dendrite‐Free Lithium Anodes via Spontaneous Reduction of Spray‐Coated Graphene Oxide Layers

First-Principles Study of the Impact of Grain Boundary Formation in the Cathode Material LiFePO4

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