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Trisulfide-Bond Acenes for Organic Batteries
Peng Hu1,2, Xuexia He3, Man-Fai Ng4
1School of Physics, Northwest University, Xi'an, 710069, China.
Angewandte Chemie (International Ed. in English)
|July 19, 2019
Summary
We developed metal-free organosulfur acenes for organic batteries. Hexathiapentacene (HTP) demonstrated superior lithium-ion battery performance and stability due to unique trisulfide bonding.
Area of Science:
- Materials Science
- Electrochemistry
- Organic Chemistry
Background:
- Molecular design of organic battery electrodes presents significant challenges.
- Metal-free organic materials offer a sustainable alternative for energy storage.
Purpose of the Study:
- To synthesize and characterize novel organosulfur acenes for lithium-ion battery applications.
- To investigate the relationship between molecular structure and electrochemical performance.
Main Methods:
- Synthesis of tetrathiotetracene (TTT) and hexathiapentacene (HTP) using a novel zone-melting chemical-vapor-transport (ZM-CVT) apparatus.
- First-principles calculations to analyze electronic properties and bonding.
- Electrochemical testing of single crystals in Li-ion batteries.
Main Results:
- HTP exhibited enhanced Li-ion battery performance and cycling stability compared to TTT.
- A novel two-step, three-electron lithiation mechanism was proposed for HTP.
- Unique trisulfide bonding in HTP contributes to its superior performance and structural properties.
Conclusions:
- Organosulfur acenes are promising candidates for high-performance organic battery materials.
- Tuning sulfur bond characteristics is crucial for optimizing material properties.
- The ZM-CVT method enables scalable, solvent-free synthesis of high-quality organic crystals.
Keywords:
density functional theorynon-covalent interactionsorganic batteriesorganic semiconductorsorganosulfur acenessymmetry-adapted perturbation theory (SAPT)More Related Videos
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