Research on high functional nano-structure in lithium ionic conductor

我们用细颗粒混合物和B位取代的方法研究了锂离子导体中的高功能纳米结构。主要研究结果如下：1.细颗粒(TiO_2粒径0.05μm)混合物在10-40%的TiO_2浓度范围内，锂离子导体的电导率提高了约30%。扫描电子显微镜观察表明，由于烧结温度过高，颗粒尺寸约为10μm，颗粒细小。我们还需要进一步的研究来提高电导率的提高。2.B位取代效应。我们观察了离子导体的B位取代效应，以改善离子的导电性。我们用Al、P、W、Zr、Mg物种取代了B位。Al和P的替代提高了电导率，而W、Zr和Mg的替代提高了电导率。我们用DV-Xα方法对其电子结构进行了研究。用电子结构的计算结果解释了核磁共振的~7Li化学位移。这是成功的。

We studied the high functional nano-structure in lithium ionic conductor using fine particle mixtures and B-site substitutions. The obtained results are summarized the followings.1.Fine particle (TiO_2 particle size 0.05μm) mixturesWe observed the conductivity enhancement of about 30% in the region of 10-40% TiO_2 concentration in lithium ionic conductor. The observation of SEM showed the fine particles included changed to the grain of about 10μm. This resulted from high sintered temperature. We need further research to improve the conductivity enhancement.2.B site substitution effect.We observed the B-site substitution effect of ionic conductor to improve the ionic conduction. We used Al, P, W, Zr, Mg species to substitute B-site. Al and P substitutions improved the conductivity, but W, Zr and Mg. Further researches are needed to understand the mechanism.3.We studied the electronic structure by DV-X α method. The result obtained in the electronic structure was applied to interpret the ^7Li chemical shift of NMR. That was successful.