2023
DOI: 10.1016/j.ensm.2023.102778
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Designing a solubility-limited small organic molecule for aqueous zinc-organic batteries

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Cited by 35 publications
(23 citation statements)
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“…Specifically, the distribution of the lowest unoccupied molecular orbital (LUMO) plays a vital role in determining the electrochemical properties. In addition, polymers with a narrow band gap typically have increased electrical conductivity. , Figure a illustrates the molecular electrostatic surface potential (MESP) of DAQ, BA, and a unit of construction for PDAQ. The nearby red-shaded area, which corresponds to the CO group, is most of the redox active sites with increased electronegativity in PDAQ polymers.…”
Section: Resultsmentioning
confidence: 99%
“…Specifically, the distribution of the lowest unoccupied molecular orbital (LUMO) plays a vital role in determining the electrochemical properties. In addition, polymers with a narrow band gap typically have increased electrical conductivity. , Figure a illustrates the molecular electrostatic surface potential (MESP) of DAQ, BA, and a unit of construction for PDAQ. The nearby red-shaded area, which corresponds to the CO group, is most of the redox active sites with increased electronegativity in PDAQ polymers.…”
Section: Resultsmentioning
confidence: 99%
“…Notably, the lowest unoccupied molecular orbital (LUMO) energy level of PD/rGO is lower than that of PQ/rGO (À 2.86 eV vs. À 2.58 eV), indicating a greater electron affinity and higher reduction potential for PD/rGO. [38] Furthermore, the energy gap between the LUMO and the highest occupied molecular orbital (HOMO) of PD/rGO is lower than that of PQ/rGO, suggesting a higher conductivity for PD/rGO (1.96 eV vs. 2.22 eV). [39] Characterizations of the positive electrode material (PD/rGOs)…”
Section: Resultsmentioning
confidence: 99%
“…Reproduced with permission. [25] Copyright 2023, Elsevier. b) The calculated highest occupied molecular orbitals of PTZAN upon sequential oxidations.…”
Section: Categories Of Organic Cathode Materialsmentioning
confidence: 99%
“…Additionally, their relatively high solubility can result in the shuttling of active materials in electrolytes and capacity fading. [25] Therefore, selecting an appropriate structural design is crucial to improve the electrochemical performance of quinone compounds. [38] In this section, we will discuss several existing methods for modifying quinone compounds.…”
Section: Carbonyl Compoundsmentioning
confidence: 99%
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