Lithium Bond Chemistry in Lithium-Sulfur Batteries
| Autor: | Jia-Qi Huang, Wentao Xu, Ting-Zheng Hou, Hong-Jie Peng, Qiang Zhang, Xiang Chen |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Battery (electricity)
Hydrogen bond Bond strength Inorganic chemistry chemistry.chemical_element Lithium–sulfur battery General Chemistry 02 engineering and technology General Medicine Electrochemistry 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Catalysis 0104 chemical sciences chemistry Chemical bond Ab initio quantum chemistry methods Lithium 0210 nano-technology |
| Zdroj: | Angewandte Chemie. 129:8290-8294 |
| ISSN: | 0044-8249 |
| DOI: | 10.1002/ange.201704324 |
| Popis: | 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 practical applications of Li-S batteries. |
| Databáze: | OpenAIRE |
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