Hole polaron assisted oxygen ion migration in Li$_2$MnO$_3$
Yanhao Dong, I-Wei Chen, Ju Li
TL;DR
This study uses first-principles calculations to demonstrate that hole polarons significantly facilitate oxygen ion migration in Li₂MnO₃, revealing a potential pathway to improve ionic conductivity in this material.
Contribution
It introduces the role of hole polarons in reducing oxygen migration barriers in Li₂MnO₃, a novel insight for this class of materials.
Findings
Hole polarons lower the oxygen migration barrier.
Oxygen ion mobility is enhanced by hole polaron presence.
First-principles calculations confirm the mechanism.
Abstract
Oxygen ion migration in Li2MnO3 was systematically studied by first-principles calculations. Hole polaron is found effective to lower the migration barrier of oxygen ion.
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Taxonomy
TopicsAnalytical Chemistry and Sensors · Advanced Memory and Neural Computing · Gas Sensing Nanomaterials and Sensors