Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study

10.1063/1.5033460

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Main Authors:	Noda, Y, Nakano, K, Otake, M, Kobayashi, R, Kotobuki, M, Lu, L, Nakayama, M
Other Authors:	MECHANICAL ENGINEERING
Format:	Article
Published:	2020
Subjects:	Activation energy Calcium Density functional theory Distribution functions Ions Lithium Molecular dynamics Potentiometric sensors Solid electrolytes Trapped ions Zirconium compounds Ca substitution Chemical compositions Content dependent Displacement function First principles molecular dynamics Li ion conductivities Molecular dynamics simulations Radial distribution functions Lithium compounds
Online Access:	https://scholarbank.nus.edu.sg/handle/10635/182078
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Institution:	National University of Singapore

id	sg-nus-scholar.10635-182078
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spelling	sg-nus-scholar.10635-1820782024-04-04T02:32:51Z Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study Noda, Y Nakano, K Otake, M Kobayashi, R Kotobuki, M Lu, L Nakayama, M MECHANICAL ENGINEERING Activation energy Calcium Density functional theory Distribution functions Ions Lithium Molecular dynamics Potentiometric sensors Solid electrolytes Trapped ions Zirconium compounds Ca substitution Chemical compositions Content dependent Displacement function First principles molecular dynamics Li ion conductivities Molecular dynamics simulations Radial distribution functions Lithium compounds 10.1063/1.5033460 APL Materials 6 6 60702 2020-10-30T02:07:01Z 2020-10-30T02:07:01Z 2018 Article Noda, Y, Nakano, K, Otake, M, Kobayashi, R, Kotobuki, M, Lu, L, Nakayama, M (2018). Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study. APL Materials 6 (6) : 60702. ScholarBank@NUS Repository. https://doi.org/10.1063/1.5033460 2166532X https://scholarbank.nus.edu.sg/handle/10635/182078 Attribution 4.0 International http://creativecommons.org/licenses/by/4.0/ Unpaywall 20201031
institution	National University of Singapore
building	NUS Library
continent	Asia
country	Singapore Singapore
content_provider	NUS Library
collection	ScholarBank@NUS
topic	Activation energy Calcium Density functional theory Distribution functions Ions Lithium Molecular dynamics Potentiometric sensors Solid electrolytes Trapped ions Zirconium compounds Ca substitution Chemical compositions Content dependent Displacement function First principles molecular dynamics Li ion conductivities Molecular dynamics simulations Radial distribution functions Lithium compounds
spellingShingle	Activation energy Calcium Density functional theory Distribution functions Ions Lithium Molecular dynamics Potentiometric sensors Solid electrolytes Trapped ions Zirconium compounds Ca substitution Chemical compositions Content dependent Displacement function First principles molecular dynamics Li ion conductivities Molecular dynamics simulations Radial distribution functions Lithium compounds Noda, Y Nakano, K Otake, M Kobayashi, R Kotobuki, M Lu, L Nakayama, M Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study
description	10.1063/1.5033460
author2	MECHANICAL ENGINEERING
author_facet	MECHANICAL ENGINEERING Noda, Y Nakano, K Otake, M Kobayashi, R Kotobuki, M Lu, L Nakayama, M
format	Article
author	Noda, Y Nakano, K Otake, M Kobayashi, R Kotobuki, M Lu, L Nakayama, M
author_sort	Noda, Y
title	Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study
title_short	Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study
title_full	Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study
title_fullStr	Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study
title_full_unstemmed	Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study
title_sort	research update: ca doping effect on the li-ion conductivity in nasicon-type solid electrolyte lizr2(po4)3: a first-principles molecular dynamics study
publishDate	2020
url	https://scholarbank.nus.edu.sg/handle/10635/182078
_version_	1800914660675813376

Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study

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