Cooperative Conformational Change of a Single Organic Molecule for Ultrafast Rechargeable Batteries

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We unveil that the conformational change of a single organic molecule during the redox reaction leads to impressive battery performance for the first time. We propose the model material, a phenoxazin-3-one derivative, as a new redox-active bioinspired single molecule for the Li-ion rechargeable battery. The phenoxazin-3-one cathode delivered a high discharge capacity (298 mAh g(-1)) and fast rate capability (65% capacity retention at 10 C). We elaborate the redox mechanism and reaction pathway of phenoxazin-3-one during Li+-coupled redox reaction. The molecular structure alteration of phenoxazin-3-one during the lithium-coupled electron transfer reaction enables strong pi-pi interaction between 2Li-phenoxazin-3-one and carbon, which was evidenced by operando Raman spectroscopy and density functional theory calculation. Our work provides in-depth understanding about the conformational molecular switch of the single molecule during Li+-coupled redox reaction and insight into the design of a new class of organic electrode materials.
Publisher
AMER CHEMICAL SOC
Issue Date
2021-05
Language
English
Article Type
Article
Citation

ACS ENERGY LETTERS, v.6, no.5, pp.1659 - 1669

ISSN
2380-8195
DOI
10.1021/acsenergylett.1c00560
URI
http://hdl.handle.net/10203/285848
Appears in Collection
MS-Journal Papers(저널논문)
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