NDLI: First-principles Study on the Charge Transport Mechanism of Lithium Sulfide $(Li

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First-principles Study on the Charge Transport Mechanism of Lithium Sulfide $(Li_{2}S)$ in Lithium-Sulfur Batteries

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Kim, B. S. Do-Hoon Lee, M. S. Byungju Park, Kyu-Young Kang, Kisuk
Description	Author Affiliation: Kim BS ( Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul, 151-742, Republic of Korea.); Lee MS ( Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul, 151-742, Republic of Korea.); Park KY ( Center for Nanoparticles Research, Institute for Basic Science (IBS), Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul, 151-742, Republic of Korea.); Kang K ( Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul, 151-742, Republic of Korea.)
Abstract	The lithium-sulfur chemistry is regarded as a promising candidate for next-generation battery systems because of its high specific energy $(1675 mA h g^{−1}).$ Although issues such as low cycle stability and power capability of the system remain to be addressed, extensive research has been performed experimentally to resolve these problems. Attaining a fundamental understanding of the reaction mechanism and its reaction product would further spur the development of lithium-sulfur batteries. Here, we investigated the charge transport mechanism of lithium sulfide $(Li_{2}S),$ a discharge product of conventional lithium-sulfur batteries using first-principles calculations. Our calculations indicate that the major charge transport is governed by the lithium-ion vacancies among various possible charge carriers. Furthermore, the large bandgap and low concentration of electron polarons indicate that the electronic conduction negligibly contributes to the charge transport mechanism in $Li_{2}S.$
File Format	HTM / HTML
ISSN	18614728
Issue Number	8
Journal	Chemistry - An Asian Journal
Volume Number	11
e-ISSN	1861471X
Language	English
Publisher	Wiley-VCH
Publisher Date	2016-04-20
Publisher Place	Germany
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Discipline Chemistry
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Biochemistry

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Mechanism and Kinetics of $Li_{2}S$ Precipitation in Lithium–Sulfur Batteries

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Superior electrochemical performance of sulfur/graphene nanocomposite material for high-capacity lithium-sulfur batteries.

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Lithium Sulfide–Carbon Composites via Aerosol Spray Pyrolysis as Cathode Materials for Lithium–Sulfur Batteries

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First-principles Study on the Charge Transport Mechanism of Lithium Sulfide $(Li_{2}S)$ in Lithium-Sulfur Batteries

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