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

Author:

Croy Jason R.123,Iddir Hakim123,Gallagher Kevin123,Johnson Christopher S.123,Benedek Roy123,Balasubramanian Mahalingam123

Affiliation:

1. Argonne National Laboratory

2. Argonne

3. USA

Abstract

Dynamical simulation at 1000 K shows the migration of oxygen ions in delithiated Li7/6−xNi1/4Mn7/12O2 (with x = 1) from oxygen layers (lower panel, at t = 0) to form O–O pairs (upper panel at t = 35 ps) thereby lowering the energy of charged cathode material.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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