Pair-hopping characteristic of lithium diffusive motion in Li-doped β-phase manganese phthalocyanine
We report a first-principles molecular dynamics study on Li-doped beta-phase manganese phthalocyanine (MnPc). Four electronegative sites next to pyrrole-bridging nitrogen atoms in single MnPc were characterized by analyzing electrostatic potentials. In one-dimensional stacked MnPc, six binding sites...
| Main Authors: | , , , , |
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| 其他作者: | |
| 格式: | Journal Article |
| 语言: | English |
| 出版: |
2011
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| 主题: | |
| 在线阅读: | https://hdl.handle.net/10356/93619 http://hdl.handle.net/10220/7427 |