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Ammonia, a Switch for Controlling High Ionic Conductivity in Lithium Borohydride Ammoniates
Joule ( IF 39.8 ) Pub Date : 2018-05-10 , DOI: 10.1016/j.joule.2018.04.015
Tengfei Zhang , Yongming Wang , Tao Song , Hikaru Miyaoka , Keita Shinzato , Hiroki Miyaoka , Takayuki Ichikawa , Siqi Shi , Xiaogang Zhang , Shigehito Isobe , Naoyuki Hashimoto , Yoshitsugu Kojima

Lithium borohydride ammoniates can be readily generated by LiBH4 absorbing ammonia at room temperature. Li(NH3)nBH4 (0 < n ≤ 2) performed high ionic conductivity near room temperature, e.g., 2.21 × 10−3 S cm−1 for mono-ammoniate at 40°C. A drastic increase in ionic conductivity occurs around 38°C due to the structural change resulting from ammonia desorption. Moreover, the jump of the ionic conductivity is reversible because ammonia absorption/desorption acts as a switch for the structural change. The experimental results show that the stable electrochemical window for the sample is ∼4 V. The crystal structure of Li(NH3)nBH4 (0 < n ≤ 1) can be easily changed while the equilibrium dynamically changes with temperature. First-principles calculation results also indicate that Li(NH3)BH4 exerts an expected compatibility in contact with lithium iron phosphate cathode material. Finally, by introducing a gas instead of substituting an element, a dynamic change of crystal structure is achieved, accompanied with the improvement of lithium ionic conductivity.



中文翻译:

氨,用于控制硼氢化锂铵盐中高离子电导率的开关

通过在室温下吸收氨的LiBH 4可以很容易地生成硼氢化锂的氨化物。Li(NH 3n BH 4(0 <n≤2)在室温附近表现出较高的离子电导率,例如在40°C下单铵盐的电导率为2.21×10 -3 S cm -1。由于氨解吸引起的结构变化,在约38°C时离子电导率急剧增加。而且,离子电导率的跳跃是可逆的,因为氨的吸收/解吸充当了结构变化的开关。实验结果表明,样品的稳定电化学窗口为〜4V。Li(NH 3n BH的晶体结构当平衡随温度动态变化时,可以轻松更改4(0 <n≤1)。第一性原理计算结果还表明,Li(NH 3)BH 4与磷酸锂铁正极材料接触时具有预期的相容性。最后,通过引入气体代替元素来实现晶体结构的动态变化,并伴随着锂离子电导率的提高。

更新日期:2018-05-10
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