2022
DOI: 10.1039/d2qi01312f
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Pyridine-based benzoquinone derivatives as organic cathode materials for sodium ion batteries

Abstract: Benzoquinone (BQ) derivatives are expected to afford high mass energy densities when applied as organic cathode materials, because they can undergo multiple electron redox reactions per molecule. However, their cycle...

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Cited by 9 publications
(5 citation statements)
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“…It is widely recognized that the redox potential of organic molecules can be regulated by adjusting their highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels, with the energy levels of the materials determined throughdensity functional theory (DFT) calculations. 4,33,35,36 The DFT calculations were performed for both molecules using the B3LYP/6-31 g(d) levels with the Gaussian 09 program. The calculated HOMO-LUMO gaps for the optimized molecule models were 3.94 eV (P-TT, Fig.…”
Section: Resultsmentioning
confidence: 99%
“…It is widely recognized that the redox potential of organic molecules can be regulated by adjusting their highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels, with the energy levels of the materials determined throughdensity functional theory (DFT) calculations. 4,33,35,36 The DFT calculations were performed for both molecules using the B3LYP/6-31 g(d) levels with the Gaussian 09 program. The calculated HOMO-LUMO gaps for the optimized molecule models were 3.94 eV (P-TT, Fig.…”
Section: Resultsmentioning
confidence: 99%
“…The reported electrochemical characterization is exclusively done in Li/Na metal half-cell setups with an excess of a Li/Na electrolyte and metal anodes. Binder and carbon black abbreviations: PVDF, polyvinylidene fluoride; CMC, carboxymethyl cellulose; PTFE, poly­(tetrafluoroethylene fluoride); PVA, polyvinylalcohol; VGCF, vapor-grown carbon fiber; CF, carbon fiber; MWCNTs, multiwalled carbon nanotubes; CNTs, carbon nanotubes. …”
Section: Role Of Organic Electrode Materials In the Battery Landscapementioning
confidence: 99%
“…In another study on benzoquinone (BQ) derivatives as cathode exhibits improved electrochemical performances. [ 140 ] The design strategy was to connect the two BQ groups by 2,6‐bis(p‐benzoquinonyl) pyridine (QPQ‐1) and 2,5‐bis(p‐benzoquinonyl) pyridine (QPQ‐2). Both compounds exhibit an expanded conjugation throughout the molecule and QPQ‐2 has limited solubility in the electrolyte, which results in improved electrode stability.…”
Section: Cathodementioning
confidence: 99%