ISIS Neutron and Muon Source Data Journal

Vibrational Contribution to the Thermodynamic Properties of Lithium Ion Battery Cathode Material, LiFePO4

Abstract: We propose to measure phonon density of states in LixFePO4 (x = 0.3, 0.6 and 1.0; three sample) from 300 to 1000 K to understand the role of lithium disorder with change in x values. Vibrational entropy or the phonon entropy plays a significant role in the intercalation potential of the electrode materials. We would study the effect of compositional change in LixFePO4 on the phonon entropy, which in turn governs the intercalation potential for the delithiation process. The measurements would throw light on the real chemical changes occurring in the lattice as battery is operated. The measured phonon density of states along with the ab-initio calculations would be used to calculate the vibrational contribution to the thermodynamic quantities, which is directly associated with the intercalation potential of electrode materials for lithium ion batteries.

Principal Investigator: Dr Sanjay Kumar Mishra
Experimenter: Dr Devashi Adroja
Experimenter: Dr Prabhatasree Goel
Experimenter: Dr Ranjan Mittal
Experimenter: Dr Samrath Lal Chaplot
Local Contact: Dr Duc Le

DOI: 10.5286/ISIS.E.RB1968049

ISIS Experiment Number: RB1968049

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Sanjay Kumar Mishra et al; (2020): Vibrational Contribution to the Thermodynamic Properties of Lithium Ion Battery Cathode Material, LiFePO4, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1968049

Data is released under the CC-BY-4.0 license.