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Enhanced Ion Conduction in Li2.5Zn0.25PS4 via Anion Doping
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-03-16 , DOI: 10.1021/acs.chemmater.0c00025
Xuyong Feng 1 , Po-Hsiu Chien 1, 2 , Sawankumar Patel 1 , Yan Wang 3 , Yan-Yan Hu 1, 2
Affiliation  

Li1+2xZn1–xPS4 was computationally predicted to have superionic conductivity of over 50 mS/cm. However, experimental efforts so far have only yielded ionic conductivities on the order of 10–4 S/cm, due to difficulty in producing phase-pure crystalline products. Here, to improve phase purity and enhance ionic conductivity, Cl- doping is employed to synthesize Li1+2xyZn1–xPS4–yCly, which is shown to stabilize Li1+2xZn1–xPS4 from decomposing to Li3PS4. Li2.5Zn0.25PS4 which shows the highest ionic conductivity among the Li1+2xZn1–xPS4 samples is chosen as an example to study. After incorporating only a small amount of Cl, the ionic conductivity increases from 0.6 mS/cm for Li2.5Zn0.25PS4 to 3.5 mS/cm for Li2.4Zn0.25PS3.9Cl0.1 at 25 °C. In addition, the activation energy is reduced from 0.33 to 0.27 eV. The phase purity and fine structure of Li1+2xyZn1–xPS4–yCly are determined with XRD, and 7Li, 31P, 35Cl solid-state NMR characterizations. The experimental data confirm the success of Cl doping. In addition, Li2.4Zn0.25PS3.9Cl0.1 exhibits a low electronic conductivity of 1.21 × 10–9 S/cm and a wide electrochemical stability window.

中文翻译:

通过阴离子掺杂增强Li 2.5 Zn 0.25 PS 4中的离子传导

据计算,Li 1 + 2 x Zn 1– x PS 4的超离子电导率超过50 mS / cm。但是,由于难以生产纯相晶体产品,到目前为止,实验工作仅产生了10 –4 S / cm的离子电导率。在这里,为了提高相纯度并增强离子电导率,采用Cl-掺杂合成Li 1 + 2 xy Zn 1– x PS 4 – y Cl y,可以稳定Li 1 + 2 x Zn 1– x PS 4从分解到Li 3 PS 4。以Li 2.5 Zn 0.25 PS 4为例,该样品在Li 1 + 2 x Zn 1– x PS 4样品中显示出最高的离子电导率。在仅掺入少量Cl后,离子电导率在25°C下从Li 2.5 Zn 0.25 PS 4的0.6 mS / cm增加到Li 2.4 Zn 0.25 PS 3.9 Cl 0.1的3.5 mS / cm 。此外,活化能从0.33 eV降低到0.27 eV。锂的相纯度和精细结构用XRD和7 Li,31 P,35 Cl固态NMR表征确定1 + 2 xy Zn 1 – x PS 4 – y Cl y。实验数据证实了氯的成功-兴奋剂。此外,Li 2.4 Zn 0.25 PS 3.9 Cl 0.1具有低的电子电导率1.21×10 –9 S / cm和宽的电化学稳定性窗口。
更新日期:2020-04-23
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