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Electronic conductivity of polymer electrolytes: electronic charge transport properties of LiTFSI-doped PEO
Physical Chemistry Chemical Physics ( IF 3.3 ) Pub Date : 2020/03/27 , DOI: 10.1039/d0cp01130d
Mikael Unge 1, 2, 3, 4, 5 , Harish Gudla 3, 4, 5, 6 , Chao Zhang 3, 4, 5, 6 , Daniel Brandell 3, 4, 5, 6
Affiliation  

The electronic structure of poly(ethyleneoxide) with and without a common electrolyte lithium bis(trifluoromethane)sulfonimide salt is calculated from first principles. Introducing the salt into the polymer electrolyte significantly reduces the band gap, down to 0.6 eV. Thus, this will have a significant impact on the leakage currents in polymer electrolytes used in all-solid-state batteries.

中文翻译:

聚合物电解质的电子电导率:掺杂LiTFSI的PEO的电子电荷传输性质

从第一原理计算具有和不具有普通电解质的双(三氟甲烷)磺酰亚胺锂的聚(环氧乙烷)的电子结构。将盐引入聚合物电解质可显着减小带隙,降低至0.6 eV。因此,这将对全固态电池中使用的聚合物电解质中的泄漏电流产生重大影响。
更新日期:2020-04-15
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