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Cobalt(II)-Hexaazatriphenylene Hexacarbonitrile Coordination Compounds Based Cathode Materials with High Capacity and Long Cycle Stability
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2022-01-07 , DOI: 10.1002/adfm.202111043 Yifan Wang 1, 2 , Preeyaporn Poldorn 3 , Yutthana Wongnongwa 3 , Siriporn Jungsuttiwong 3 , Chong Chen 4 , Le Yu 4 , Zhuyi Wang 2 , Liyi Shi 2, 5 , Yin Zhao 2 , Shuai Yuan 2
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2022-01-07 , DOI: 10.1002/adfm.202111043 Yifan Wang 1, 2 , Preeyaporn Poldorn 3 , Yutthana Wongnongwa 3 , Siriporn Jungsuttiwong 3 , Chong Chen 4 , Le Yu 4 , Zhuyi Wang 2 , Liyi Shi 2, 5 , Yin Zhao 2 , Shuai Yuan 2
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Organic cathode materials are plagued by their low cycle stability and poor electronic conductivity, even though they have attracted increasing attention in the context of lithium-ion batteries (LIBs). Herein, a coordination polymer cobalt-hexaazatriphenylene hexacarbonitrile (Co(HAT-CN)) is prepared via a facile solvothermal method, which is composed of the redox-active HAT-CN linker and the Co(II) ion center. The fabricated material shows excellent structural stability and high conductivity. Moreover, graphene oxide (GO) is introduced as a substrate, and in-situ loading of Co(HAT-CN) on its surface shows enhanced cycling stability. For Co(HAT-CN)/GO, a high specific capacity of 204 mAh g–1 can be retained even after 200 cycles at a current density of 40 mA g–1 in a voltage window of 1.2–3.9 V. Ex situ and in situ analyses are applied to probe the reversibility of the pyrazine redox-active center during the cycling process and the lithium storage process. Density functional theory calculations reveal that the high conductivity of Co(HAT-CN) should be ascribed to the narrow LUMO-HOMO gap (0.61 eV), and strong binding of lithiated molecules.
中文翻译：
钴(II)-六氮杂苯并苯六甲腈配位化合物基高容量长循环稳定性正极材料
尽管有机正极材料在锂离子电池 (LIB) 的背景下引起了越来越多的关注，但仍受到循环稳定性低和电子导电性差的困扰。在此，通过简便的溶剂热法制备了一种配位聚合物钴-六氮杂苯并苯六甲腈 (Co(HAT-CN))，该聚合物由具有氧化还原活性的 HAT-CN 连接体和 Co(II) 离子中心组成。制造的材料显示出优异的结构稳定性和高导电性。此外，引入氧化石墨烯（GO）作为基材，在其表面原位负载Co（HAT-CN）表现出增强的循环稳定性。对于 Co(HAT-CN)/GO，即使在 40 mA g –1的电流密度下循环 200 次后仍可保持204 mAh g –1的高比容量在 1.2-3.9 V 的电压窗口中。应用异位和原位分析来探测吡嗪氧化还原活性中心在循环过程和锂存储过程中的可逆性。密度泛函理论计算表明，Co(HAT-CN) 的高电导率应归因于窄的 LUMO-HOMO 间隙（0.61 eV）和锂化分子的强结合。
更新日期：2022-01-07
中文翻译：
钴(II)-六氮杂苯并苯六甲腈配位化合物基高容量长循环稳定性正极材料
尽管有机正极材料在锂离子电池 (LIB) 的背景下引起了越来越多的关注，但仍受到循环稳定性低和电子导电性差的困扰。在此，通过简便的溶剂热法制备了一种配位聚合物钴-六氮杂苯并苯六甲腈 (Co(HAT-CN))，该聚合物由具有氧化还原活性的 HAT-CN 连接体和 Co(II) 离子中心组成。制造的材料显示出优异的结构稳定性和高导电性。此外，引入氧化石墨烯（GO）作为基材，在其表面原位负载Co（HAT-CN）表现出增强的循环稳定性。对于 Co(HAT-CN)/GO，即使在 40 mA g –1的电流密度下循环 200 次后仍可保持204 mAh g –1的高比容量在 1.2-3.9 V 的电压窗口中。应用异位和原位分析来探测吡嗪氧化还原活性中心在循环过程和锂存储过程中的可逆性。密度泛函理论计算表明，Co(HAT-CN) 的高电导率应归因于窄的 LUMO-HOMO 间隙（0.61 eV）和锂化分子的强结合。
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