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A battery is a galvanic cell that is used as a source of electrical power for specific applications. Modern batteries exist in a multitude of forms to accommodate various applications, from tiny button batteries such as those that power wristwatches to the very large batteries used to supply backup energy to municipal power grids. Some batteries are designed for single-use applications and cannot be recharged (primary cells), while others are based on conveniently reversible cell reactions that...
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A Protocol for Electrochemical Evaluations and State of Charge Diagnostics of a Symmetric Organic Redox Flow Battery
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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
PubMed
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.

Keywords:
density functional theorynon-covalent interactionsorganic batteriesorganic semiconductorsorganosulfur acenessymmetry-adapted perturbation theory (SAPT)

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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.