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teclover

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专业: 集成电路设计与测试

[求助] 锂硫电池只中氮蚕杂石墨烯对多硫化物的吸附机理是什么样的？

如题，看到文献上是这样说的
This is corroborated by the calculated Mulliken charges (Table S3 a, b), which show that Li + has a more negative charge when adsorbed on N, and that N has a more positive charge than C. For N atoms adjacent to oxygen functional groups, the N atoms can transfer their extra electron to the C=O or COOH groups, leading to a more negative charge on the oxygen functional group and a more positive charge on the Li + ion, thus enabling stronger ionic bonding with Li + (Table S3 c–f). These computations clarify
how this material is able to enhance lithium polysulfide adsorption and demonstrate one general means of doing so

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