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Title: Defect chemistry of disordered solid-state electrolyte Li 10GeP 2S 12

Abstract

Most solid-state electrolytes exhibit significant structural disorder, which requires careful consideration when modeling the defect energetics. Here, we model the native defect chemistry of a disordered solid electrolyte, Li 10GeP 2S 12.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [2];  [1]
  1. Colorado School of Mines, Golden, CO (United States); National Renewable Energy Lab. (NREL), Golden, CO (United States)
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  3. Colorado School of Mines, Golden, CO (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE National Renewable Energy Laboratory (NREL), Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1598974
Alternate Identifier(s):
OSTI ID: 1596887
Report Number(s):
[NREL/JA-5K00-75130]
[Journal ID: ISSN 2050-7488; JMCAET]
Grant/Contract Number:  
[AC36-08GO28308]
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
[ Journal Volume: 8; Journal Issue: 7]; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
30 DIRECT ENERGY CONVERSION; solid-state battery; computations; first-principles; defects; electrolyte

Citation Formats

Gorai, Prashun, Long, Hai, Jones, Eric, Santhanagopalan, Shriram, and Stevanovic, Vladan. Defect chemistry of disordered solid-state electrolyte Li10GeP2S12. United States: N. p., 2020. Web. doi:10.1039/C9TA10964A.
Gorai, Prashun, Long, Hai, Jones, Eric, Santhanagopalan, Shriram, & Stevanovic, Vladan. Defect chemistry of disordered solid-state electrolyte Li10GeP2S12. United States. doi:10.1039/C9TA10964A.
Gorai, Prashun, Long, Hai, Jones, Eric, Santhanagopalan, Shriram, and Stevanovic, Vladan. Thu . "Defect chemistry of disordered solid-state electrolyte Li10GeP2S12". United States. doi:10.1039/C9TA10964A.
@article{osti_1598974,
title = {Defect chemistry of disordered solid-state electrolyte Li10GeP2S12},
author = {Gorai, Prashun and Long, Hai and Jones, Eric and Santhanagopalan, Shriram and Stevanovic, Vladan},
abstractNote = {Most solid-state electrolytes exhibit significant structural disorder, which requires careful consideration when modeling the defect energetics. Here, we model the native defect chemistry of a disordered solid electrolyte, Li10GeP2S12.},
doi = {10.1039/C9TA10964A},
journal = {Journal of Materials Chemistry. A},
number = [7],
volume = [8],
place = {United States},
year = {2020},
month = {1}
}

Journal Article:
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