Octahydroxytetraazapentacenedione: New organic electrode material for fast and stable potassium batteries

Ramezankhani, Vahid; Yakuschenko, Igor K.; Mumyatov, Alexander V.; Васильев, С. Г.; Kurmaev, E.Z.; Shestakov, Alexander F.; Troshin, Pavel A.

doi:10.1016/j.jpowsour.2021.230711

Cited by 5 publications

(4 citation statements)

References 28 publications

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“…Different kinds of redox functional groups can be combined to further improve the redox activity of OEMs. 94,95 For example, possessing carbonyl and pyrdinic N as the active sites with enhanced intermolecular interactions, 2,3,7,8-tetraaminophenazine-1,4,6,9-tetraone (TAPT) can undergo a six-electron stepwise (Figure 4b) storage mechanism and exhibit high capacity and good stability for LIBs. 32 3Q, showing a high pi-conjugation skeleton with six pyridinic nitrogen as the active sites, was demonstrated to be a promising organic cathode with high discharge capacity of 395 mAh g À1 at 1C.…”

Section: Modulation Of Redox Active Groups On the Molecular Skeletonmentioning

confidence: 99%

“…Different kinds of redox functional groups can be combined to further improve the redox activity of OEMs 94,95 . For example, possessing carbonyl and pyrdinic N as the active sites with enhanced intermolecular interactions, 2,3,7,8‐tetraaminophenazine‐1,4,6,9‐tetraone (TAPT) can undergo a six‐electron stepwise (Figure 4b) storage mechanism and exhibit high capacity and good stability for LIBs 32 .…”

Section: Design Strategies For High‐performance Oemsmentioning

confidence: 99%

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Computational insights into the rational design of organic electrode materials for metal ion batteries

Zhu

Yang

Shu

et al. 2023

WIREs Comput Mol Sci

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Metal ion batteries (MIBs), represented by lithium ion batteries are important energy storage devices for storing renewable energy. Advanced development of MIBs depends on the exploration of efficient and sustainable electrode materials. Organic electrode materials (OEMs) with redox‐active moieties are low‐cost and eco‐friendly alternatives to conventional inorganic electrode materials for MIBs. Computational simulation plays an important role in understanding the energy storage mechanism of different active functional groups and boosting the discovery of new OEMs for high‐efficient MIBs. Here, we will review recent progress of OEMs and comprehensively survey factors that determine their electrochemical properties. Dependable computational methods to guide the design of OEMs are comprehensively discussed and machine learning is highlighted as an emerging method to reveal the underlying structure–performance relationship and facilitate screening of OEMs with high‐efficiency. Finally, we summarize the available molecular design strategies to effectively improve the redox activity and stability of OEMs, and discuss challenges and opportunities of theoretical calculations of OEMs for MIBs.This article is categorized under: Structure and Mechanism > Computational Materials Science Electronic Structure Theory > Density Functional Theory Structure and Mechanism > Molecular Structures

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Section: Modulation Of Redox Active Groups On the Molecular Skeletonmentioning

confidence: 99%

Section: Design Strategies For High‐performance Oemsmentioning

confidence: 99%

Computational insights into the rational design of organic electrode materials for metal ion batteries

Zhu

Yang

Shu

et al. 2023

WIREs Comput Mol Sci

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“…Several K‐intercalating compounds have been reported as potential cathode materials for KIBs, for example, layered transition metal oxides, [ 3 ] polyanionic compounds, [ 4 ] organic compounds, [ 5 ] as well as Prussian blue and its analogs (PBAs). [ 6 ] PBAs such as A 2−x M[Fe(CN) 6 ] 1−y ·zH 2 O are hexacyanoferrates in which M represents a transition metal such as Fe, Co, Mn, Cu, Ni, Zn, and so on.…”

Section: Introductionmentioning

confidence: 99%

Potassium‐Rich Iron Hexacyanoferrate/Carbon Cloth Electrode for Flexible and Wearable Potassium‐Ion Batteries

Li,

Zhang,

et al. 2023

Advanced Science

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The fast development of flexible and wearable electronics increases the demand for flexible secondary batteries, and the emerging high‐performance K‐ion batteries (KIBs) have shown immense promise for the flexible electronics due to the abundant and cost‐effective potassium resources. However, the implementation of flexible cathodes for KIBs is hampered by the critical issues of low capacity, rapid capacity decay with cycles, and limited initial Coulombic efficiency. To address these pressing issues, a freestanding K‐rich iron hexacyanoferrate/carbon cloth (KFeHCF/CC) electrode is designed and fabricated by cathodic deposition. This innovative binder‐free and self‐supporting KFeHCF/CC electrode not only provides continuous conductive channels for electrons, but also accelerates the diffusion of potassium ions through the active electrode–electrolyte interface. Moreover, the nanosized potassium iron hexacyanoferrate particles limit particle fracture and pulverization to preserve the structure and stability during cycling. As a result, the K‐rich KFeHCF/CC electrode shows a reversible discharging capacity of 110.1 mAh g−1 at 50 mA g−1 after 100 cycles in conjunction with capacity retention of 92.3% after 1000 cycles at 500 mA g−1. To demonstrate the commercial feasibility, a flexible tubular KIB is assembled with the K‐rich KFeHCF/CC electrode, and excellent flexibility, capacity, and stability are observed.

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“…26 Among the well-developed organic electrode materials, small organic molecules are widely used, but usually show poor cycling performance due to the dissolution of active materials. 27 Applying suitable organic polymers is considered one of the most promising strategies for overcoming the above challenges. [28][29][30] In particular, the use of conducting polymers (CPs) provides opportunities for exploring a new generation of battery devices.…”

Section: Introductionmentioning

confidence: 99%

Conducting polymers with redox active pendant groups: their application progress as organic electrode materials for rechargeable batteries

et al. 2022

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Octahydroxytetraazapentacenedione: New organic electrode material for fast and stable potassium batteries

Cited by 5 publications

References 28 publications

Computational insights into the rational design of organic electrode materials for metal ion batteries

Computational insights into the rational design of organic electrode materials for metal ion batteries

Potassium‐Rich Iron Hexacyanoferrate/Carbon Cloth Electrode for Flexible and Wearable Potassium‐Ion Batteries

Conducting polymers with redox active pendant groups: their application progress as organic electrode materials for rechargeable batteries

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