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Title: Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries

Abstract

The facile conduction of alkali ions in a crystal host is of crucial importance in rechargeable alkali-ion batteries, the dominant form of energy storage today. In this review, we provide a comprehensive survey of computational approaches to study solid-state alkali diffusion. We demonstrate how these methods have provided useful insights into the design of materials that form the main components of a rechargeable alkali-ion battery, namely the electrodes, superionic conductor solid electrolytes and interfaces. We will also provide a perspective on future challenges and directions. Here, the scope of this review includes the monovalent lithium- and sodium-ion chemistries that are currently of the most commercial interest.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Univ. of California, San Diego, La Jolla, CA (United States)
  2. Univ. of Maryland, College Park, MD (United States)
Publication Date:
Research Org.:
Univ. of California, San Diego, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1310543
Alternate Identifier(s):
OSTI ID: 1559136
Grant/Contract Number:  
SC0012118; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
NPG Asia Materials (Online)
Additional Journal Information:
Journal Name: NPG Asia Materials (Online); Journal Volume: 8; Journal Issue: 3; Journal ID: ISSN 1884-4057
Publisher:
Nature Publishing Group Asia
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Deng, Zhi, Mo, Yifei, and Ong, Shyue Ping. Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries. United States: N. p., 2016. Web. doi:10.1038/am.2016.7.
Deng, Zhi, Mo, Yifei, & Ong, Shyue Ping. Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries. United States. doi:10.1038/am.2016.7.
Deng, Zhi, Mo, Yifei, and Ong, Shyue Ping. Fri . "Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries". United States. doi:10.1038/am.2016.7. https://www.osti.gov/servlets/purl/1310543.
@article{osti_1310543,
title = {Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries},
author = {Deng, Zhi and Mo, Yifei and Ong, Shyue Ping},
abstractNote = {The facile conduction of alkali ions in a crystal host is of crucial importance in rechargeable alkali-ion batteries, the dominant form of energy storage today. In this review, we provide a comprehensive survey of computational approaches to study solid-state alkali diffusion. We demonstrate how these methods have provided useful insights into the design of materials that form the main components of a rechargeable alkali-ion battery, namely the electrodes, superionic conductor solid electrolytes and interfaces. We will also provide a perspective on future challenges and directions. Here, the scope of this review includes the monovalent lithium- and sodium-ion chemistries that are currently of the most commercial interest.},
doi = {10.1038/am.2016.7},
journal = {NPG Asia Materials (Online)},
number = 3,
volume = 8,
place = {United States},
year = {2016},
month = {3}
}

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Cited by: 13 works
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    Works referencing / citing this record:

    Room-Temperature All-solid-state Rechargeable Sodium-ion Batteries with a Cl-doped Na3PS4 Superionic Conductor
    journal, September 2016

    • Chu, Iek-Heng; Kompella, Christopher S.; Nguyen, Han
    • Scientific Reports, Vol. 6, Issue 1
    • DOI: 10.1038/srep33733

    Room-Temperature All-solid-state Rechargeable Sodium-ion Batteries with a Cl-doped Na3PS4 Superionic Conductor
    journal, September 2016

    • Chu, Iek-Heng; Kompella, Christopher S.; Nguyen, Han
    • Scientific Reports, Vol. 6, Issue 1
    • DOI: 10.1038/srep33733