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Title: First-charge instabilities of layered-layered lithium-ion-battery materials

Dynamical simulation at 1000 K shows the migration of oxygen ions in delithiated Li 7/6-xNi 1/4Mn 7/12O 2(withx= 1) from oxygen layers (lower panel, att= 0) to form O–O pairs (upper panel att= 35 ps) thereby lowering the energy of charged cathode material.
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 17; Journal Issue: 37; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 25 ENERGY STORAGE
OSTI Identifier:
1395075

Croy, Jason R., Iddir, Hakim, Gallagher, Kevin, Johnson, Christopher S., Benedek, Roy, and Balasubramanian, Mahalingam. First-charge instabilities of layered-layered lithium-ion-battery materials. United States: N. p., Web. doi:10.1039/c5cp02943k.
Croy, Jason R., Iddir, Hakim, Gallagher, Kevin, Johnson, Christopher S., Benedek, Roy, & Balasubramanian, Mahalingam. First-charge instabilities of layered-layered lithium-ion-battery materials. United States. doi:10.1039/c5cp02943k.
Croy, Jason R., Iddir, Hakim, Gallagher, Kevin, Johnson, Christopher S., Benedek, Roy, and Balasubramanian, Mahalingam. 2015. "First-charge instabilities of layered-layered lithium-ion-battery materials". United States. doi:10.1039/c5cp02943k. https://www.osti.gov/servlets/purl/1395075.
@article{osti_1395075,
title = {First-charge instabilities of layered-layered lithium-ion-battery materials},
author = {Croy, Jason R. and Iddir, Hakim and Gallagher, Kevin and Johnson, Christopher S. and Benedek, Roy and Balasubramanian, Mahalingam},
abstractNote = {Dynamical simulation at 1000 K shows the migration of oxygen ions in delithiated Li7/6-xNi1/4Mn7/12O2(withx= 1) from oxygen layers (lower panel, att= 0) to form O–O pairs (upper panel att= 35 ps) thereby lowering the energy of charged cathode material.},
doi = {10.1039/c5cp02943k},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 37,
volume = 17,
place = {United States},
year = {2015},
month = {9}
}

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