First-charge instabilities of layered-layered lithium-ion-battery materials. Issue 37 (7th October 2015)

• Record Type: Journal Article
• Authors: Croy, Jason R.; Iddir, Hakim; Gallagher, Kevin; Johnson, Christopher S.; Benedek, Roy; Balasubramanian, Mahalingam
• Is Part Of: Physical chemistry chemical physics. Volume 17:Issue 37(2015)
• Page Start: 24382
• Page End: 24391
• Publication Date: 2015-10-07
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c5cp02943k
• Languages: English
• ISSNs: 1463-9076

Abstract

<abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgj2qs4h644" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />Dynamical simulation at 1000 K shows the migration of oxygen ions in delithiated Li_{7/6−<italic>x</italic>}Ni_1/4Mn_7/12O₂ (with <italic>x</italic> = 1) from oxygen layers (lower panel, at <italic>t</italic> = 0) to form O–O pairs (upper panel at <italic>t</italic> = 35 ps) thereby lowering the energy of charged cathode material.</p> </abstract>