Enhanced Ion Conduction in Li2.5Zn0.25PS4 via Anion Doping,Chemistry of Materials

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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

Li_1+2xZn_1–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 Li_1+2x–yZn_1–xPS_4–yCl_y, which is shown to stabilize Li_1+2xZn_1–xPS₄ from decomposing to Li₃PS₄. Li_2.5Zn_0.25PS₄ which shows the highest ionic conductivity among the Li_1+2xZn_1–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 Li_2.5Zn_0.25PS₄ to 3.5 mS/cm for Li_2.4Zn_0.25PS_3.9Cl_0.1 at 25 °C. In addition, the activation energy is reduced from 0.33 to 0.27 eV. The phase purity and fine structure of Li_1+2x–yZn_1–xPS_4–yCl_y are determined with XRD, and ⁷Li, ³¹P, ³⁵Cl solid-state NMR characterizations. The experimental data confirm the success of Cl^– doping. In addition, Li_2.4Zn_0.25PS_3.9Cl_0.1 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 x – y} 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}_x_–_y 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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