Accelerated Removal of Fe-Antisite Defects while Nanosizing Hydrothermal LiFePO<sub>4</sub> with Ca<sup>2+</sup>

Paolella, Andrea; Turner, Stuart; Bertoni, Giovanni; Hovington, Pierre; Flacau, Roxana; Boyer, Chad; Feng, Zimin; Colombo, Massimo; Marras, Sergio; Prato, Mirko; Manna, Liberato; Guerfi, Abdelbast; Demopoulos, George P.; Armand, Michel; Zaghib, Karim

doi:10.1021/acs.nanolett.6b00334

Cited by 59 publications

(39 citation statements)

References 31 publications

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“…Antisite defects are commonly existed in the LiMPO4 and have been verified by experimental observations [35][36][37] [38]. These anti-site defects were reported to block the diffusion of Li ions [39,40].…”

Section: Simulation Methodologymentioning

confidence: 83%

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO₄and LiMnPO₄

Shi

Wang

2016

J. Phys. D: Appl. Phys.

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Northumbria University has developed Northumbria Research Link (NRL) to enable users to access the University's research output. Copyright © and moral rights for items on NRL are retained by the individual author(s) and/or other copyright owners. Single copies of full items can be reproduced, displayed or performed, and given to third parties in any format or medium for personal research or study, educational, or not-for-profit purposes without prior permission or charge, provided the authors, title and full bibliographic details are given, as well as a hyperlink and/or URL to the original metadata page. The content must not be changed in any way. Full items must not be sold commercially in any format or medium without formal permission of the copyright holder. The full policy is available online: http://nrl.northumbria.ac.uk/policies.html This document may differ from the final, published version of the research and has been made available online in accordance with publisher policies. To read and/or cite from the published version of the research, please visit the publisher's website (a subscription may be required.) Abstract:Coating LiMnPO4 with a thin layer of LiFePO4 shows a better electrochemical performance than the pure LiFePO4 and LiMnPO4, thus it is critical to understand Li diffusion at their interfaces to improve the performance of electrode materials. Li diffusion at the (100)LiFePO4//(100)LiMnPO4, (100) interface is in the range of 3.65×10 -11 -5.28×10 -12 cm 2 /s, which is larger than that in the pure LiMnPO4 with a value of 7.5×10 -14 cm 2 /s. Therefore, the charging/discharging rate performance of the LiMnPO4 can be improved by surface coating with the LiFePO4.

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Section: Simulation Methodologymentioning

confidence: 83%

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO₄and LiMnPO₄

Shi

Wang

2016

J. Phys. D: Appl. Phys.

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“…In a standard hydrothermal synthesis (see previous publications for more details65) 33.6 g (0.12 mol) of FeSO 4 7H 2 O, 15.41 g (0.36 mol) of LiOH H 2 O, 13.83 g (0.12 mol) of H 3 PO 4 , 0.5 g of ascorbic acid (C 6 H 8 O 6 ) are mixed with 300 ml of deionised water in a glass liner. The final molar ratio between Li: Fe:PO 4 :C 6 H 8 O 6 was 3:1:1:0.008.…”

Section: Methodsmentioning

confidence: 99%

Light-assisted delithiation of lithium iron phosphate nanocrystals towards photo-rechargeable lithium ion batteries

et al. 2017

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Recently, intensive efforts are dedicated to convert and store the solar energy in a single device. Herein, dye-synthesized solar cell technology is combined with lithium-ion materials to investigate light-assisted battery charging. In particular we report the direct photo-oxidation of lithium iron phosphate nanocrystals in the presence of a dye as a hybrid photo-cathode in a two-electrode system, with lithium metal as anode and lithium hexafluorophosphate in carbonate-based electrolyte; a configuration corresponding to lithium ion battery charging. Dye-sensitization generates electron–hole pairs with the holes aiding the delithiation of lithium iron phosphate at the cathode and electrons utilized in the formation of a solid electrolyte interface at the anode via oxygen reduction. Lithium iron phosphate acts effectively as a reversible redox agent for the regeneration of the dye. Our findings provide possibilities in advancing the design principles for photo-rechargeable lithium ion batteries.

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“…Previously, a Fe 2 P 2 O 7 secondary phase was observed on the surface of hydrothermally synthesized LFP. The origin of such impurity phase formation is ascribed to more Fe Li antisite formed at lower temperature synthesis than high temperature solid-state reactions 15–17 . The formation of another secondary phase, iron phosphide, has been shown to be closely related to the annealing procedure employed and undoubtly influence the physical properies of LFP.…”

Section: Introductionmentioning

confidence: 99%

Formation of size-dependent and conductive phase on lithium iron phosphate during carbon coating

Liu

Wang

et al. 2018

Nat Commun

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Carbon coating is a commonly employed technique for improving the conductivity of active materials in lithium ion batteries. The carbon coating process involves pyrolysis of organic substance on lithium iron phosphate particles at elevated temperature to create a highly reducing atmosphere. This may trigger the formation of secondary phases in the active materials. Here, we observe a conductive phase during the carbon coating process of lithium iron phosphate and the phase content is size, temperature, and annealing atmosphere dependent. The formation of this phase is related to the reducing capability of the carbon coating process. This finding can guide us to control the phase composition of carbon-coated lithium iron phosphate and to tune its quality during the manufacturing process.

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Accelerated Removal of Fe-Antisite Defects while Nanosizing Hydrothermal LiFePO₄ with Ca²⁺

Cited by 59 publications

References 31 publications

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO₄and LiMnPO₄

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO₄and LiMnPO₄

Light-assisted delithiation of lithium iron phosphate nanocrystals towards photo-rechargeable lithium ion batteries

Formation of size-dependent and conductive phase on lithium iron phosphate during carbon coating

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Accelerated Removal of Fe-Antisite Defects while Nanosizing Hydrothermal LiFePO4 with Ca2+

Cited by 59 publications

References 31 publications

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO4and LiMnPO4

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO4and LiMnPO4

Light-assisted delithiation of lithium iron phosphate nanocrystals towards photo-rechargeable lithium ion batteries

Formation of size-dependent and conductive phase on lithium iron phosphate during carbon coating

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Product

Resources

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Accelerated Removal of Fe-Antisite Defects while Nanosizing Hydrothermal LiFePO₄ with Ca²⁺

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO₄and LiMnPO₄

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO₄and LiMnPO₄