Ontology highlight
ABSTRACT:
SUBMITTER: Yang E
PROVIDER: S-EPMC5868318 | biostudies-other | 2018 Jan
REPOSITORIES: biostudies-other
Yang Eunjeong E Kim Heejin H Kim Sangryun S Kim In I Kim Jaehoon J Ji Hyunjun H Choi Jang Wook JW Jung Yousung Y
Chemical science 20171024 2
It is well known that many layered transition metal oxides can transform into a spinel structure upon repeated battery cycling, but a phase transition in the opposite direction is rare. Recently, the transformation from spinel Mn<sub>3</sub>O<sub>4</sub> to layered MnO<sub>2</sub> was observed during the operation of a Mg battery in aqueous conditions, resulting in high performance Mg batteries. We hereby use <i>ab initio</i> calculations to unveil the mechanism by which crystal water plays a cr ...[more]