The Li/Lil/(CHIy)x battery was fabricated by using fast ionic conductor-LiI as the solid electrolyte has not been reported. The battery exhibited an open circuit voltage of 3.1v and an initial short circuit of 7ma/cm^2. (CHIy)x can be used in the Li/l2 battery as the rote of charge transfer complex. Experimental enerny density of 110Wh/kg was obtained based on the weight of (CH)x film (weight of (CH)x electrode:ca. 4mg, doping level:y=0.11).
本文采用LCAO_SCF ab initio晶体轨道方法计算了聚丁二炔的两种可能结构:乙炔型结构CR—C≡C—CR′和丁三烯型结构∈_nCR=C=CR′的能量和能带结构;讨论了不同侧链基团聚丁二炔的两种结构的能量稳定性及其能带结构的变化;并从侧链基团的性质及这两种结构的差别进行了分析,较好地解释了计算结果。
本文用LCAO-SCF ab initio晶体轨道方法计算了乙炔—甲基乙炔共聚体的能带结构和碳链上的电荷分布情况,所选计算体系包括不同乙炔含量的共聚体及不同的锂掺杂浓度,文章主要讨论了甲基及锂掺杂对能带结构和碳链上电荷分布的影响以及乙炔—甲基乙炔共聚体掺杂后导电性提高的原因,并与聚乙炔及掺杂体系的结果进行了比较,解释了实验结果。
