Ontology highlight
ABSTRACT:
SUBMITTER: Kuganathan N
PROVIDER: S-EPMC6168608 | biostudies-literature | 2018 Oct
REPOSITORIES: biostudies-literature
Kuganathan Navaratnarajah N Chroneos Alexander A
Scientific reports 20181002 1
Sodium manganese orthosilicate, Na<sub>2</sub>MnSiO<sub>4</sub>, is a promising positive electrode material in rechargeable sodium ion batteries. Atomistic scale simulations are used to study the defects, doping behaviour and sodium migration paths in Na<sub>2</sub>MnSiO<sub>4</sub>. The most favourable intrinsic defect type is the cation anti-site (0.44 eV/defect), in which, Na and Mn exchange their positions. The second most favourable defect energy process is found to be the Na Frenkel (1.60 ...[more]