Ab-initio calculation of muon spin polarization function to study lithium-ion diffusion in LiTi2O4 battery material

Reference : Ab-initio calculation of muon spin polarization function to study lithium-ion diffusi...


	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	Focus Areas :	Physics and Materials Science
	To cite this reference:	http://hdl.handle.net/10993/45590

Title :	Ab-initio calculation of muon spin polarization function to study lithium-ion diffusion in LiTi2O4 battery material
Language :	English
Author, co-author :	Suprayoga, E. []
	Rifai, A. []
	Subhan, A. []
	Sunardianto, G.K. []
	Hana, M.Y. []
	Hasdeo, Eddwi Hesky [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
	Nugraha, A.R.T []
Publication date :	3-Sep-2020
Journal title :	AIP Conference Proceedings
Publisher :	American Institute of Physics
Volume :	2256
Issue/season :	1
Pages :	030015
Peer reviewed :	Yes (verified by ORBi^lu)
Audience :	International
ISSN :	0094-243X
e-ISSN :	1551-7616
City :	New York
Country :	NY
Keywords :	[en] Muon spectroscopy ; Ab-initio calculation ; Li battery materials
Abstract :	[en] We report the study of lithium-ion diffusion in LiTi2O4 battery material by the analysis of muon spin polarization function at the muon site by DFT calculation. The important parameters which explain the lithium-ion diffusion will be derived from the function, including the field fluctuation rate and the local field distribution. The calculated results are shown in good agreement with the previously measured field distribution and the field fluctuation rate in LiTi2O4 at the ground state temperature. This method, therefore, may apply to the study of other battery materials.
Permalink :	http://hdl.handle.net/10993/45590
DOI :	10.1063/5.0014693
Other URL :	https://aip.scitation.org/doi/abs/10.1063/5.0014693

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