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1. Pair-hopping characteristic of lithium diffusive motion in Li-doped [beta]-phase manganese phthalocyanine

Author

Xiaosong Du, Qunxiang LI, Ying Chen, Haibin Su, and Jinlong Yang

Subjects
Lithium compounds -- Chemical properties, Molecular dynamics -- Usage, Chemicals, plastics and rubber industries
Abstract

A first-principles molecular dynamics study on Li-doped [beta]-phase manganese phthalocyanine (MnPc) is reported. Result reveals that the continuous diffusion of Li atoms among the six binding sites of adjacent MnPc molecules has a distinct cooperative pair-hopping character.

Published
2007

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