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A new aqueous all-organic flow battery with high cell voltage in acidic electrolytes

机译:一种新的全体有机流动电池,具有酸性电解质中的高电池电压

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摘要

To ensure deeper market penetration, electrolytes of redox flow batteries (RFB) should be based on low-cost and abundant materials. An all-organic system based on acidic aqueous electrolytes is developed, from a study of theoretical calculations, fundamental chemistry to full-cell testing. The selection of organic active materials in relation to their physical and chemical properties (reaction kinetics, electrode potentials and solubilities) is facilitated by density functional theory (DFT) calculations. Based upon the results, this paper proposes 1,3-cyclohexanedione (1,3-dione) and 1,2-benzoquinone-4,5-disulfonic acid (1,2-BQDS), which are highly soluble and exhibit the most negative (similar to 0.2 V vs. Standard Hydrogen Electrode (SHE)) and the most positive (similar to 0.80 V vs. Standard Hydrogen Electrode (SHE)) electrode potentials, respectively, under acidic conditions, for which the formation of short-lived and unstable radicals is avoided. The proposed molecules involve at least two proton-two-electron-transfers (pH = 2.5) and yields one of the highest cell voltage (ca. 0.9 V) and reasonable energy efficiencies (70% at 20 mA cm(-2)) in acidic electrolytes reported to date.
机译:为确保更深的市场渗透,氧化还原电池(RFB)的电解质应基于低成本和丰富的材料。从理论计算的研究中,开发了一种基于酸性水性电解质的全有机系统,从理论计算,全细胞检测到全细胞测试。通过密度泛函理论(DFT)计算,促进了与其物理和化学性质(反应动力学,电极电位和溶解度)相关的有机活性材料的选择。基于结果,本文提出了1,3-环己酰胺(1,3-二酮)和1,2-苯醌-4,5-二磺酸(1,2-BQD),其具有高度溶于和最负面的(类似于0.2V与标准氢电极(SHE))和最正阳性(类似于0.80V与标准氢电极(SHED))电极电位,在酸性条件下,形成短寿命的形成避免了不稳定的自由基。所提出的分子涉及至少两个质子 - 两电子转移(pH <= 2.5),并产生最高电池电压(约0.9V)和合理的能量效率(> 70%,在20 mA cm(-2)中的一个)迄今为止报告的酸性电解质。

著录项

  • 来源
    《Applied Energy》 |2021年第1期|116058.1-116058.12|共12页
  • 作者单位

    Chongqing Univ Sch Energy & Power Engn MOE Key Lab Low Grade Energy Technol & Syst Chongqing 400030 Peoples R China;

    IMDEA Energy Madrid 28935 Spain;

    Jiangsu Univ Sch Energy & Power Engn Zhenjiang 212013 Jiangsu Peoples R China;

    Aalto Univ Dept Chem & Mat Sci Espoo Finland;

    Univ Malaysia Pahang Fac Elect & Elect Engn Sustainable Energy & Power Elect Res Grp Pekan 26600 Pahang Malaysia;

    IMDEA Energy Madrid 28935 Spain;

    Kasetsart Univ Fac Engn Dept Mat Engn 50 Ngamwongwan Rd Bangkok 10900 Thailand;

    Chongqing Univ Sch Energy & Power Engn MOE Key Lab Low Grade Energy Technol & Syst Chongqing 400030 Peoples R China;

    Beijing Univ Aeronaut & Astronaut Sch Microelect 37 Xueyuan Rd Haidian Dist 100191 Peoples R China;

    Chongqing Univ Sch Energy & Power Engn MOE Key Lab Low Grade Energy Technol & Syst Chongqing 400030 Peoples R China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Redox flow battery; Organic; Acid aqueous electrolyte; Density functional theory; Full cell;

    机译:氧化还原流量电池;有机;酸性电解质;密度函数理论;全细胞;

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