Synthesis of nanocrystals and morphology control of hydrothermally prepared LiFePO4

Ellis, Brian L.; Kan, Wang Hay; Makahnouk, W. R. M.; Nazar, Linda F.

doi:10.1039/b705443m

Cited by 300 publications

(262 citation statements)

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“…2,3 The major drawback of LiFePO 4 is poor ionic and electronic conduction (with an electrical conductivity of about 10 −9 S/cm at 298 K) 4 that limits its applicability to devices. While the conduction can be improved by, e.g., making LiFePO 4 nanoparticles and coating with conductive carbon, 5,6 the high processing cost associated with the manufacturing of carbon-coated LiFePO 4 nanoparticles may make it less competitive than other materials. Another approach is to dope LiFePO 4 with aliovalent impurities (Mg, Ti, Zr, Nb) which was reported to have enhanced the conductivity by eight orders of magnitude.…”

Section: Introductionmentioning

confidence: 99%

Tailoring Native Defects in LiFePO₄: Insights from First-Principles Calculations

2011

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We report first-principles density-functional theory studies of native point defects and defect complexes in olivine-type LiFePO4, a promising candidate for rechargeable Li-ion battery electrodes. The defects are characterized by their formation energies which are calculated within the GGA+U framework. We find that native point defects are charged, and each defect is stable in one charge state only. Removing electrons from the stable defects always generates defect complexes containing small hole polarons. Defect formation energies, hence concentrations, and defect energy landscapes are all sensitive to the choice of atomic chemical potentials which represent experimental conditions. One can, therefore, suppress or enhance certain native defects in LiFePO4 via tuning the synthesis conditions. Based on our results, we provide insights on how to obtain samples in experiments with tailored defect concentrations for targeted applications. We also discuss the mechanisms for ionic and electronic conduction in LiFePO4 and suggest strategies for enhancing the electrical conductivity.

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Section: Introductionmentioning

confidence: 99%

Tailoring Native Defects in LiFePO₄: Insights from First-Principles Calculations

2011

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“…Currently, the relatively low conductivity and poor Li transport properties can be improved by reducing crystal size and changing the microstructure/morphology, using surface modification and forming composite structures. Using these various methods, the electronic conductivity and Li diffusion coefficients can be increased up to 10 -1 S/cm and 10 -9 cm 2 /s, respectively [7][8][9][10][11][12][13][14][15][16]. Another drawback of the LiFePO4 is its relatively small voltage (3.4 V vs.…”

Section: Introductionmentioning

confidence: 99%

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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“…143 Coating the nanoscopic LiFePO 4 with conductive carbon overcomes its electronic and lithium-ion conductivity limitations 144 yielding a cathode with high rate capability and excellent cyclability. 145,146 Similarly, multielectron conversion reactions with metal oxyfluorides that are ill-behaved on the macroscale, become viable on the nanoscale.…”

Section: 142mentioning

confidence: 99%

Nanoscale design to enable the revolution in renewable energy

Baxter

Bian

Chen

et al. 2009

Energy Environ. Sci.

378

217

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The creation of a sustainable energy generation, storage, and distribution infrastructure represents a global grand challenge that requires massive transnational investments in the research and development of energy technologies that will provide the amount of energy needed on a sufficient scale and timeframe with minimal impact on the environment and have limited economic and societal disruption during implementation. In this opinion paper, we focus on an important set of solar, thermal, and electrochemical energy conversion, storage, and conservation technologies specifically related to recent and prospective advances in nanoscale science and technology that offer high potential in addressing the energy challenge. We approach this task from a two-fold perspective: analyzing the fundamental physicochemical principles and engineering aspects of these energy technologies and identifying unique opportunities enabled by nanoscale design of materials, processes, and systems in order to improve performance and reduce costs. Our principal goal is to establish a roadmap for research and development activities in nanoscale science and technology that would significantly advance and accelerate the implementation of renewable energy technologies. In all cases we make specific recommendations for research needs in the near-term (2-5 years), mid-term (5-10 years) and long-term (>10 years), as well as projecting a timeline for maturation of each technological solution. We also identify a number of priority themes in basic energy science that cut across the entire spectrum Broader contextA major scientific and societal challenge of the 21st century is the conversion from a fossil-fuel-based energy economy to one that is sustainable. The energy challenge before us differs in three ways from past large scale challenges: the first is the large magnitude and relatively short time scale of the transition (a predicted doubling of energy demand by mid-century and a tripling by the end of the century); the second is the need to develop CO 2 -neutral, renewable energy sources; and the third is the cost-competitive aspect of the transition (insofar as the cost of energy to the consumer must be competitive with the fossil fuel energy supply being replaced). What is clear is that the science and engineering research communities working with industry, and policy makers (government, economists, social scientists) will have to educate the citizenry and get them to function collaboratively and globally to enhance the quality of life and to preserve the environment of our planet for future generations. Our team has prepared a technical article on the role of nanotechnology in our energy future aimed at guiding both our own community of scientists and engineers and our policy makers who interface with the public. This journal is ª The Royal Society of Chemistry 2009Energy Environ. Sci., 2009, 2, 559-588 | 559 ANALYSIS www.rsc.org/ees | Energy & Environmental Science of energy conversion, storage, and conservation technologies. We anticipate t...

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Synthesis of nanocrystals and morphology control of hydrothermally prepared LiFePO4

Cited by 300 publications

References 31 publications

Tailoring Native Defects in LiFePO₄: Insights from First-Principles Calculations

Tailoring Native Defects in LiFePO₄: Insights from First-Principles Calculations

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

Nanoscale design to enable the revolution in renewable energy

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Synthesis of nanocrystals and morphology control of hydrothermally prepared LiFePO4

Cited by 300 publications

References 31 publications

Tailoring Native Defects in LiFePO4: Insights from First-Principles Calculations

Tailoring Native Defects in LiFePO4: Insights from First-Principles Calculations

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

Nanoscale design to enable the revolution in renewable energy

Contact Info

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Resources

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Tailoring Native Defects in LiFePO₄: Insights from First-Principles Calculations

Tailoring Native Defects in LiFePO₄: Insights from First-Principles Calculations

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