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

Croy, Jason R.; Iddir, Hakim; Gallagher, Kevin; Johnson, Christopher S.; Benedek, Roy; Balasubramanian, Mahalingam

doi:10.1039/c5cp02943k

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

Journal Article · Thu Sep 03 00:00:00 EDT 2015 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/c5cp02943k· OSTI ID:1395075

Croy, Jason R. ^[1]; Iddir, Hakim ^[1]; Gallagher, Kevin ^[1]; Johnson, Christopher S. ^[1]; Benedek, Roy ^[1]; Balasubramanian, Mahalingam ^[1]

Argonne National Lab. (ANL), Argonne, IL (United States)

Dynamical simulation at 1000 K shows the migration of oxygen ions in delithiated Li_7/6-xNi_1/4Mn_7/12O₂(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.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; AC02-05CH11231

OSTI ID:: 1395075

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 17, Issue 37; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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