CoSe Nanoparticle Embedded B,N-Codoped Carbon Nanotube Array as a Dual-Functional Host for a High-Performance Li-S Full Battery,ACS Nano

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CoSe Nanoparticle Embedded B,N-Codoped Carbon Nanotube Array as a Dual-Functional Host for a High-Performance Li-S Full Battery
ACS Nano ( IF 15.8 ) Pub Date : 2022-10-10 , DOI: 10.1021/acsnano.2c07137
Yong Li ₁ , Xuzhen Wang ₁ , Minghui Sun ₁ , Jian Xiao ₁ , Bolun Zhang ₁ , Lishen Ai ₁ , Zongbin Zhao ₁ , Jieshan Qiu _{1,

2}

Affiliation

The lithium polysulfide (LiPSs) shuttling and slow chemical reactions at the sulfur cathode and the formation of dendritic lithium in metal anodes severely hinder the popularization of lithium–sulfur batteries. Here, a B,N-codoped carbon nanotube (BNCNTs) array decorated with sulfilic and lithiophilic CoSe nanoparticles grown on a carbon cloth (CoSe@BNCNTs/CC) as both a sulfur and a lithium host is reported. Density functional theory (DFT) calculations, simulations, and electrochemical performance determinations demonstrate that CoSe@BNCNTs/CC can simultaneously exert catalytic effects for accelerating LiPSs conversion and realize smooth and uniform lithium deposition to regulate the S and Li electrochemistry. Moreover, the unique structure of the BNCNTs array provides sufficient storage space for sulfur and homogenizes the distribution of Li ions and the electric field of the electrode. The assembled Li-S full battery with a CoSe@BNCNTs/CC dual-functional host exhibits a long-term cycling stability (800 cycles at 0.5 C with a decay rate of 0.066% per cycle) and a high rate capacity (684 mAh g^–1 at 2 C). Even at a high sulfur loading of 7.9 mg cm^–2, the Li-S full battery has a high areal capacity of 9.76 mAh cm^–2 at 0.2 C. This study proposes a viable strategy to solve the challenges of both S and Li electrodes for practical Li-S full batteries.

中文翻译：

CoSe 纳米粒子嵌入 B,N 共掺杂碳纳米管阵列作为高性能 Li-S 全电池的双功能主体

多硫化锂（LiPSs）在硫正极的穿梭和缓慢的化学反应以及金属负极中树枝状锂的形成严重阻碍了锂硫电池的推广。在这里，报道了一种 B、N 共掺杂碳纳米管 (BNCNTs) 阵列，该阵列装饰有在碳布 (CoSe@BNCNTs/CC) 上生长的硫和亲锂 CoSe 纳米粒子作为硫和锂主体。密度泛函理论 (DFT) 计算、模拟和电化学性能测定表明，CoSe@BNCNTs/CC 可以同时发挥催化作用，加速 LiPSs 转化，实现平滑均匀的锂沉积，从而调节 S 和 Li 电化学。而且，BNCNTs阵列的独特结构为硫提供了足够的存储空间，并使锂离子的分布和电极的电场均匀化。具有 CoSe@BNCNTs/CC 双功能主体的组装 Li-S 全电池表现出长期循环稳定性（0.5 C 下 800 次循环，每循环衰减率为 0.066%）和高倍率容量（684 mAh g^–1在 2 C)。^{即使在 7.9 mg cm -2}的高硫负载下，Li-S 全电池在 0.2 C 时也具有 9.76 mAh cm ^-2的高面积容量。本研究提出了一种可行的策略来解决 S 和 Li 电极的挑战用于实用的锂硫电池。

更新日期：2022-10-10

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