Thermophysical properties of LiFePO4 cathodes with carbonized pitch coatings and organic binders: Experiments and first-principles modeling

Jagjit Nanda; Surendra K. Martha; Wallace D. Porter; Hsin Wang; Nancy J. Dudney; Maxwell D. Radin; Donald J. Siegel

doi:10.1016/j.jpowsour.2013.11.022

Thermophysical properties of LiFePO₄ cathodes with carbonized pitch coatings and organic binders: Experiments and first-principles modeling

Jagjit Nanda, Surendra K. Martha, Wallace D. Porter, Hsin Wang, Nancy J. Dudney, Maxwell D. Radin, Donald J. Siegel

Nuclear Energy Materials Microanalysis

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

37 Scopus citations

Abstract

We report heat capacity, thermogravimetry and thermal diffusivity data for carbonized mesophase pitch coated LiFePO₄ (LFP) cathodes. The results are compared with the thermophysical properties of a conventional LFP-based electrode having a poly (vinylene) difluoride (PVDF) binder and conductive carbon diluents. The measured heat capacity of LFP as a function of temperature is in good agreement with model calculations based on first-principles methods. Thermal diffusivity data indicate that the mesophase pitch coated LFP compositions have a factor of two higher thermal diffusivity than the conventional electrode composition, suggesting that the coatings improve heat transfer. In the presence of an electrolyte mixture (1.2 M lithium hexa-fluorophosphate), differential scanning calorimetry (DSC) analysis of the LFP-pitch composite and LFP-PVDF-carbon composites showed similar onset temperature and heat evolution.

Original language	English
Pages (from-to)	8-13
Number of pages	6
Journal	Journal of Power Sources
Volume	251
DOIs	https://doi.org/10.1016/j.jpowsour.2013.11.022
State	Published - Apr 1 2014

Funding

The authors thank Karim Zaghib of Hydro-Québec for supplying the LiFePO 4 powders used in this study. This work is supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy. Part of the work was also supported under High Temperature Materials User program funded by Office of Vehicle Technology, EERE Department of Energy. M.D.R. and D.J.S acknowledge financial support from U.S. Department of Energy's U.S.-China Clean Energy Research Center – Clean Vehicles Consortium (CERC-CVC), Grant DE-PI0000012 .

Funders	Funder number
EERE Department of Energy
Office of Vehicle Technology
U.S. Department of Energy's U.S.-China Clean Energy Research Center	DE-PI0000012
U.S. Department of Energy
Office of Energy Efficiency and Renewable Energy
Vehicle Technologies Office

Keywords

Battery electrodes
Density functional theory
Heat capacity
Lithium battery
Lithium iron phosphate
Thermophysical properties

UN SDGs

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

Access to Document

10.1016/j.jpowsour.2013.11.022

Cite this

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title = "Thermophysical properties of LiFePO4 cathodes with carbonized pitch coatings and organic binders: Experiments and first-principles modeling",

abstract = "We report heat capacity, thermogravimetry and thermal diffusivity data for carbonized mesophase pitch coated LiFePO4 (LFP) cathodes. The results are compared with the thermophysical properties of a conventional LFP-based electrode having a poly (vinylene) difluoride (PVDF) binder and conductive carbon diluents. The measured heat capacity of LFP as a function of temperature is in good agreement with model calculations based on first-principles methods. Thermal diffusivity data indicate that the mesophase pitch coated LFP compositions have a factor of two higher thermal diffusivity than the conventional electrode composition, suggesting that the coatings improve heat transfer. In the presence of an electrolyte mixture (1.2 M lithium hexa-fluorophosphate), differential scanning calorimetry (DSC) analysis of the LFP-pitch composite and LFP-PVDF-carbon composites showed similar onset temperature and heat evolution.",

keywords = "Battery electrodes, Density functional theory, Heat capacity, Lithium battery, Lithium iron phosphate, Thermophysical properties",

author = "Jagjit Nanda and Martha, {Surendra K.} and Porter, {Wallace D.} and Hsin Wang and Dudney, {Nancy J.} and Radin, {Maxwell D.} and Siegel, {Donald J.}",

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AU - Nanda, Jagjit

AU - Martha, Surendra K.

AU - Porter, Wallace D.

AU - Wang, Hsin

AU - Dudney, Nancy J.

AU - Radin, Maxwell D.

AU - Siegel, Donald J.

PY - 2014/4/1

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N2 - We report heat capacity, thermogravimetry and thermal diffusivity data for carbonized mesophase pitch coated LiFePO4 (LFP) cathodes. The results are compared with the thermophysical properties of a conventional LFP-based electrode having a poly (vinylene) difluoride (PVDF) binder and conductive carbon diluents. The measured heat capacity of LFP as a function of temperature is in good agreement with model calculations based on first-principles methods. Thermal diffusivity data indicate that the mesophase pitch coated LFP compositions have a factor of two higher thermal diffusivity than the conventional electrode composition, suggesting that the coatings improve heat transfer. In the presence of an electrolyte mixture (1.2 M lithium hexa-fluorophosphate), differential scanning calorimetry (DSC) analysis of the LFP-pitch composite and LFP-PVDF-carbon composites showed similar onset temperature and heat evolution.

AB - We report heat capacity, thermogravimetry and thermal diffusivity data for carbonized mesophase pitch coated LiFePO4 (LFP) cathodes. The results are compared with the thermophysical properties of a conventional LFP-based electrode having a poly (vinylene) difluoride (PVDF) binder and conductive carbon diluents. The measured heat capacity of LFP as a function of temperature is in good agreement with model calculations based on first-principles methods. Thermal diffusivity data indicate that the mesophase pitch coated LFP compositions have a factor of two higher thermal diffusivity than the conventional electrode composition, suggesting that the coatings improve heat transfer. In the presence of an electrolyte mixture (1.2 M lithium hexa-fluorophosphate), differential scanning calorimetry (DSC) analysis of the LFP-pitch composite and LFP-PVDF-carbon composites showed similar onset temperature and heat evolution.

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