Lithium Bond Chemistry in Lithium-Sulfur Batteries

Angewandte Chemie
Ting-Zheng HouQiang Zhang

Abstract

The lithium-sulfur (Li-S) battery is a promising high-energy-density storage system. The strong anchoring of intermediates is widely accepted to retard the shuttle of polysulfides in a working battery. However, the understanding of the intrinsic chemistry is still deficient. Inspired by the concept of hydrogen bond, herein we focus on the Li bond chemistry in Li-S batteries through sophisticated quantum chemical calculations, in combination with 7 Li nuclear magnetic resonance (NMR) spectroscopy. Identified as Li bond, the strong dipole-dipole interaction between Li polysulfides and Li-S cathode materials originates from the electron-rich donors (e.g., pyridinic nitrogen (pN)), and is enhanced by the inductive and conjugative effect of scaffold materials with π-electrons (e.g., graphene). The chemical shift of Li polysulfides in 7 Li NMR spectroscopy, being both theoretically predicted and experimentally verified, is suggested to serve as a quantitative descriptor of Li bond strength. These theoretical insights were further proved by actual electrochemical tests. This work highlights the importance of Li bond chemistry in Li-S cell and provides a deep comprehension, which is helpful to the cathode materials rational design and ...Continue Reading

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Citations

Jul 29, 2017·Chemical Reviews·Xin-Bing ChengQiang Zhang
Jan 10, 2018·Chemistry : a European Journal·Zhi ChangXiaogang Zhang
Mar 27, 2018·Advanced Materials·Gaoran LiJun Lu
May 14, 2019·Advanced Materials·Sheng-Heng Chung, Arumugam Manthiram
Jul 14, 2019·Angewandte Chemie·Xianyong WuXiulei Ji
Jan 14, 2020·Advanced Materials·Yiqiong ZhangShuangyin Wang
Sep 25, 2019·Research : a Science Partner Journal·Bo-Quan LiQiang Zhang
Sep 23, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Hongtai LiXiaodong Guo
Apr 4, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Yanjie WangXiaoyuan Zeng
Feb 27, 2019·Nano-micro Letters·Luke HenczShanqing Zhang
Mar 31, 2018·ACS Applied Materials & Interfaces·Xi KeZaiping Guo

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