Pilot-scale continuous synthesis of a vanadium-doped LiFePO4/C nanocomposite high-rate cathodes for lithium-ion batteries

Ian D. Johnson; Mechthild Lübke; On Ying Wu; Neel M. Makwana; Glen J. Smales; Husn U. Islam; Rashmi Y. Dedigama; Robert I. Gruar; Christopher J. Tighe; David O. Scanlon; Furio Corà; Dan J.L. Brett; Paul R. Shearing; Jawwad A. Darr

doi:10.1016/j.jpowsour.2015.10.068

Pilot-scale continuous synthesis of a vanadium-doped LiFePO₄/C nanocomposite high-rate cathodes for lithium-ion batteries

Ian D. Johnson, Mechthild Lübke, On Ying Wu, Neel M. Makwana, Glen J. Smales, Husn U. Islam, Rashmi Y. Dedigama, Robert I. Gruar, Christopher J. Tighe, David O. Scanlon, Furio Corà, Dan J.L. Brett, Paul R. Shearing, Jawwad A. Darr^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

A high performance vanadium-doped LiFePO₄ (LFP) electrode is synthesized using a continuous hydrothermal method at a production rate of 6 kg per day. The supercritical water reagent rapidly generates core/shell nanoparticles with a thin, continuous carbon coating on the surface of LFP, which aids electron transport dynamics across the particle surface. Vanadium dopant concentration has a profound effect on the performance of LFP, where the composition LiFe_0.95V_0.05PO_4, achieves a specific discharge capacity which is among the highest in the comparable literature (119 mA h g^-1 at a discharge rate of 1500 mA g^-1). Additionally, a combination of X-ray absorption spectroscopy analysis and hybrid-exchange density functional theory, suggest that vanadium ions replace both phosphorous and iron in the structure, thereby facilitating Li⁺ diffusion due to Li⁺ vacancy generation and changes in the crystal structure.

Original language	English
Pages (from-to)	410-418
Number of pages	9
Journal	Journal of Power Sources
Volume	302
DOIs	https://doi.org/10.1016/j.jpowsour.2015.10.068
Publication status	Published - 20 Jan 2016

Bibliographical note

Funding Information:
The EPSRC are thanked for funding the ELEVATE project ( EP/M009394/1 ) and the Centre for Doctoral Training in Molecular Modelling & Materials Science (UCL, U.K.) which supports a studentship for Ian Johnson. Prof. John McArthur, Clement Denis, Joe Nolan and Marco Bersani are thanked for technical support, and Prof. Andy Dent and Dr. Stephen Parry at Diamond Light Source for their support on the B18 beamline, where the EXAFS data were collected under Rapid Access Proposal SP12093. The simulations made use of the UCL Legion High Performance Computing Facility and the ARCHER supercomputer through membership of the UK's HPC Materials Chemistry Consortium (EPSRC grant EP/L000202). DOS acknowledges support from the EPSRC (EP/N001982/1).

Publisher Copyright:
© 2015 Elsevier B.V.

Keywords

Cathode
Continuous hydrothermal synthesis
Doped
High power
Lithium-ion battery
Phosphate

ASJC Scopus subject areas

Renewable Energy, Sustainability and the Environment
Energy Engineering and Power Technology
Physical and Theoretical Chemistry
Electrical and Electronic Engineering

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/j.jpowsour.2015.10.068

Cite this

Johnson, I. D., Lübke, M., Wu, O. Y., Makwana, N. M., Smales, G. J., Islam, H. U., Dedigama, R. Y., Gruar, R. I., Tighe, C. J., Scanlon, D. O., Corà, F., Brett, D. J. L., Shearing, P. R., & Darr, J. A. (2016). Pilot-scale continuous synthesis of a vanadium-doped LiFePO₄/C nanocomposite high-rate cathodes for lithium-ion batteries. Journal of Power Sources, 302, 410-418. https://doi.org/10.1016/j.jpowsour.2015.10.068

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title = "Pilot-scale continuous synthesis of a vanadium-doped LiFePO4/C nanocomposite high-rate cathodes for lithium-ion batteries",

abstract = "A high performance vanadium-doped LiFePO4 (LFP) electrode is synthesized using a continuous hydrothermal method at a production rate of 6 kg per day. The supercritical water reagent rapidly generates core/shell nanoparticles with a thin, continuous carbon coating on the surface of LFP, which aids electron transport dynamics across the particle surface. Vanadium dopant concentration has a profound effect on the performance of LFP, where the composition LiFe0.95V0.05PO4, achieves a specific discharge capacity which is among the highest in the comparable literature (119 mA h g-1 at a discharge rate of 1500 mA g-1). Additionally, a combination of X-ray absorption spectroscopy analysis and hybrid-exchange density functional theory, suggest that vanadium ions replace both phosphorous and iron in the structure, thereby facilitating Li+ diffusion due to Li+ vacancy generation and changes in the crystal structure.",

keywords = "Cathode, Continuous hydrothermal synthesis, Doped, High power, Lithium-ion battery, Phosphate",

author = "Johnson, {Ian D.} and Mechthild L{\"u}bke and Wu, {On Ying} and Makwana, {Neel M.} and Smales, {Glen J.} and Islam, {Husn U.} and Dedigama, {Rashmi Y.} and Gruar, {Robert I.} and Tighe, {Christopher J.} and Scanlon, {David O.} and Furio Cor{\`a} and Brett, {Dan J.L.} and Shearing, {Paul R.} and Darr, {Jawwad A.}",

note = "Funding Information: The EPSRC are thanked for funding the ELEVATE project ( EP/M009394/1 ) and the Centre for Doctoral Training in Molecular Modelling & Materials Science (UCL, U.K.) which supports a studentship for Ian Johnson. Prof. John McArthur, Clement Denis, Joe Nolan and Marco Bersani are thanked for technical support, and Prof. Andy Dent and Dr. Stephen Parry at Diamond Light Source for their support on the B18 beamline, where the EXAFS data were collected under Rapid Access Proposal SP12093. The simulations made use of the UCL Legion High Performance Computing Facility and the ARCHER supercomputer through membership of the UK's HPC Materials Chemistry Consortium (EPSRC grant EP/L000202). DOS acknowledges support from the EPSRC (EP/N001982/1). Publisher Copyright: {\textcopyright} 2015 Elsevier B.V.",

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Johnson, ID, Lübke, M, Wu, OY, Makwana, NM, Smales, GJ, Islam, HU, Dedigama, RY, Gruar, RI, Tighe, CJ, Scanlon, DO, Corà, F, Brett, DJL, Shearing, PR & Darr, JA 2016, 'Pilot-scale continuous synthesis of a vanadium-doped LiFePO₄/C nanocomposite high-rate cathodes for lithium-ion batteries', Journal of Power Sources, vol. 302, pp. 410-418. https://doi.org/10.1016/j.jpowsour.2015.10.068

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T1 - Pilot-scale continuous synthesis of a vanadium-doped LiFePO4/C nanocomposite high-rate cathodes for lithium-ion batteries

AU - Johnson, Ian D.

AU - Lübke, Mechthild

AU - Wu, On Ying

AU - Makwana, Neel M.

AU - Smales, Glen J.

AU - Islam, Husn U.

AU - Dedigama, Rashmi Y.

AU - Gruar, Robert I.

AU - Tighe, Christopher J.

AU - Scanlon, David O.

AU - Corà, Furio

AU - Brett, Dan J.L.

AU - Shearing, Paul R.

AU - Darr, Jawwad A.

N1 - Funding Information: The EPSRC are thanked for funding the ELEVATE project ( EP/M009394/1 ) and the Centre for Doctoral Training in Molecular Modelling & Materials Science (UCL, U.K.) which supports a studentship for Ian Johnson. Prof. John McArthur, Clement Denis, Joe Nolan and Marco Bersani are thanked for technical support, and Prof. Andy Dent and Dr. Stephen Parry at Diamond Light Source for their support on the B18 beamline, where the EXAFS data were collected under Rapid Access Proposal SP12093. The simulations made use of the UCL Legion High Performance Computing Facility and the ARCHER supercomputer through membership of the UK's HPC Materials Chemistry Consortium (EPSRC grant EP/L000202). DOS acknowledges support from the EPSRC (EP/N001982/1). Publisher Copyright: © 2015 Elsevier B.V.

PY - 2016/1/20

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N2 - A high performance vanadium-doped LiFePO4 (LFP) electrode is synthesized using a continuous hydrothermal method at a production rate of 6 kg per day. The supercritical water reagent rapidly generates core/shell nanoparticles with a thin, continuous carbon coating on the surface of LFP, which aids electron transport dynamics across the particle surface. Vanadium dopant concentration has a profound effect on the performance of LFP, where the composition LiFe0.95V0.05PO4, achieves a specific discharge capacity which is among the highest in the comparable literature (119 mA h g-1 at a discharge rate of 1500 mA g-1). Additionally, a combination of X-ray absorption spectroscopy analysis and hybrid-exchange density functional theory, suggest that vanadium ions replace both phosphorous and iron in the structure, thereby facilitating Li+ diffusion due to Li+ vacancy generation and changes in the crystal structure.

AB - A high performance vanadium-doped LiFePO4 (LFP) electrode is synthesized using a continuous hydrothermal method at a production rate of 6 kg per day. The supercritical water reagent rapidly generates core/shell nanoparticles with a thin, continuous carbon coating on the surface of LFP, which aids electron transport dynamics across the particle surface. Vanadium dopant concentration has a profound effect on the performance of LFP, where the composition LiFe0.95V0.05PO4, achieves a specific discharge capacity which is among the highest in the comparable literature (119 mA h g-1 at a discharge rate of 1500 mA g-1). Additionally, a combination of X-ray absorption spectroscopy analysis and hybrid-exchange density functional theory, suggest that vanadium ions replace both phosphorous and iron in the structure, thereby facilitating Li+ diffusion due to Li+ vacancy generation and changes in the crystal structure.

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KW - Continuous hydrothermal synthesis

KW - Doped

KW - High power

KW - Lithium-ion battery

KW - Phosphate

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