DFT and experimental study of nano red phosphorus anchoring on sulfurized polyacrylonitrile for lithium-ion batteries.,Chemical Communications

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DFT and experimental study of nano red phosphorus anchoring on sulfurized polyacrylonitrile for lithium-ion batteries.
Chemical Communications ( IF 4.3 ) Pub Date : 2020-09-16 , DOI: 10.1039/d0cc04870d
Yang Wang ₁ , Pengjian Zuo , Shaobo Ma , Bingxing Xie , Zhenjiang Yu , Geping Yin

Affiliation

Sulfur atoms can reconstruct the configuration of PAN, which makes the electron transfer more convenient and reduces the energy barriers during Li ion diffusion. The sulfurized polyacrylonitrile plays a crucial role in anchoring the P₄ molecule and electron transport simultaneously. Uniform RP nanoparticles (∼200 nm) are obtained using a simple liquid phase method. SPAN–RP shows an initial reversible capacity of 1214 mA h g⁻¹ at 0.2C and retains a capacity of 860 mA h g⁻¹ with a high coulombic efficiency of 99.6% after 200 cycles.

中文翻译：

DFT和纳米红磷锚固在锂离子电池硫化聚丙烯腈上的实验研究。

硫原子可以重构PAN的构型，这使电子转移更加方便，并减少了锂离子扩散过程中的能垒。硫化聚丙烯腈在锚定P ₄分子和电子传输的同时起着至关重要的作用。使用简单的液相方法可获得均匀的RP纳米颗粒（〜200 nm）。SPAN-RP在0.2C时显示出1214 mA hg ^-1的初始可逆容量，在200个循环后仍保持860 mA hg ^-1的容量，并且具有99.6％的高库仑效率。

更新日期：2020-09-24

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