In contrast to traditional rechargeable rock-chair metal-ion batteries, dual-ion batteries (DIBs) involve redox reactions with anions rather than cations in p-type cathodes. In principle, regulating the electrochemical performance of the DIB by different anion species is highly feasible. Herein, the anion effect on the electrochemical performance of a DIB, the aqueous Zn- organic radical battery (Zn-ORB), consisting of a poly(2,2,6,6tetramethylpiperidinyloxy-4-yl vinyl ether) cathode and a Zn anode, was investigated by DFT calculations. SO4 2- , CF3 SO3 - , and ClO4 - with different molecular electrostatic potential values were selected as anion models. DFT calculations revealed that a stronger electrostatic interaction of the anion with the organic radical resulted in a higher operating voltage of the Zn-ORB, which was consistent with experimental results. These results bring new insight into the redox chemistry of p-type organic radicals with anions and will promote the development of high-power aqueous Zn-ORBs as well as inspire more investigations into the anion effect towards novel battery designs.

中文翻译：

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具有选定阴离子触发的可调工作电压的大功率锌有机自由基水溶液。

与传统的可充电摇椅金属离子电池相比，双离子电池（DIB）涉及的是p型阴极与阴离子的氧化还原反应，而不是阳离子。原则上，通过不同的阴离子种类调节DIB的电化学性能是高度可行的。在此，阴离子对DIB，由聚（2,2,6,6四甲基哌啶基氧基-4-基乙烯基醚）阴极和Zn阳极组成的水性Zn-有机自由基电池（Zn-ORB）的电化学性能的影响通过DFT计算进行了研究。选择具有不同分子静电势值的SO4 2-，CF3 SO3-和ClO4-作为阴离子模型。DFT计算表明，阴离子与有机基团的较强静电相互作用导致Zn-ORB的工作电压更高，这与实验结果一致。这些结果为p型有机自由基与阴离子的氧化还原化学提供了新的见识，并将促进高功率水基Zn-ORB的发展，并激发对新型电池设计中阴离子效应的更多研究。