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Uncovering the Fundamental Role of Interlayer Water in Charge Storage for Bilayered V2O5 · nH2O Xerogel Cathode Materials
Advanced Energy Materials ( IF 24.4 ) Pub Date : 2022-11-30 , DOI: 10.1002/aenm.202202515 Qiangchao Sun 1 , Hongwei Cheng 1 , Yifei Yuan 2 , Yanbo Liu 1 , Wei Nie 1 , Kangning Zhao 1 , Kun Wang 1 , Wenli Yao 3 , Xionggang Lu 1 , Jun Lu 4
Advanced Energy Materials ( IF 24.4 ) Pub Date : 2022-11-30 , DOI: 10.1002/aenm.202202515 Qiangchao Sun 1 , Hongwei Cheng 1 , Yifei Yuan 2 , Yanbo Liu 1 , Wei Nie 1 , Kangning Zhao 1 , Kun Wang 1 , Wenli Yao 3 , Xionggang Lu 1 , Jun Lu 4
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Interlayer engineering is a promising strategy to modify the structure of layered vanadium-based oxides with optimized ion-diffusion capability, during which the role of interlayer crystal water in tuning the charge storage properties should be clarified. Herein, a series of hydrated V2O5·nH2O xerogels with varying contents of interlayer water (n) is obtained by differentiating the temperature parameter. Results show that the value n should be properly modified to the best value that is not too large or too small, that is, when n equals 0.26, the V2O5·nH2O electrode exhibits optimized discharge capacity (456.5 mAh g−1 at 0.1 A g−1) and cycling stability with 94.3% retention after 2,000 cycles at 3 A g−1. Regulation of interlayer water content appears to weaken the electrostatic interaction between the VO framework and intercalated Zn2+, which thus enhances the reversibility of the zincation and structural evolution during cycling. Density functional theory calculations suggest that the V2O5·0.26H2O material with modulated electron structure can provide a favorable electrostatic environment for reversible Zn2+ diffusion with a lower migration barrier. The findings of this work are expected to arouse more intensive research efforts into the role of structural water in tuning the energy storage performance in various electrode materials.
中文翻译：
揭示层间水在双层 V2O5·nH2O 干凝胶阴极材料电荷存储中的基本作用
层间工程是一种很有前途的策略，可以通过优化离子扩散能力来修改层状钒基氧化物的结构，在此期间应阐明层间结晶水在调节电荷存储特性中的作用。在此，通过微分温度参数获得了一系列具有不同层间水( n )含量的水合V 2 O 5 · n H 2 O干凝胶。结果表明，n的取值应适当修改为不宜过大或过小的最佳值，即当n =0.26时，V 2 O 5 · n H 2O 电极表现出优化的放电容量（在 0.1 A g -1 时为 456.5 mAh g -1 ）和循环稳定性，在 3 A g -1下经过 2,000 次循环后保持率为 94.3% 。层间水含量的调节似乎削弱了 V O 框架和嵌入的 Zn 2+之间的静电相互作用，从而增强了循环过程中锌化和结构演变的可逆性。密度泛函理论计算表明，具有调制电子结构的V 2 O 5 ·0.26H 2 O材料可为可逆Zn 2+提供有利的静电环境具有较低迁移壁垒的扩散。预计这项工作的结果将引起对结构水在调节各种电极材料的储能性能中的作用的更深入的研究。
更新日期：2022-11-30
中文翻译：
揭示层间水在双层 V2O5·nH2O 干凝胶阴极材料电荷存储中的基本作用
层间工程是一种很有前途的策略，可以通过优化离子扩散能力来修改层状钒基氧化物的结构，在此期间应阐明层间结晶水在调节电荷存储特性中的作用。在此，通过微分温度参数获得了一系列具有不同层间水( n )含量的水合V 2 O 5 · n H 2 O干凝胶。结果表明，n的取值应适当修改为不宜过大或过小的最佳值，即当n =0.26时，V 2 O 5 · n H 2O 电极表现出优化的放电容量（在 0.1 A g -1 时为 456.5 mAh g -1 ）和循环稳定性，在 3 A g -1下经过 2,000 次循环后保持率为 94.3% 。层间水含量的调节似乎削弱了 V O 框架和嵌入的 Zn 2+之间的静电相互作用，从而增强了循环过程中锌化和结构演变的可逆性。密度泛函理论计算表明，具有调制电子结构的V 2 O 5 ·0.26H 2 O材料可为可逆Zn 2+提供有利的静电环境具有较低迁移壁垒的扩散。预计这项工作的结果将引起对结构水在调节各种电极材料的储能性能中的作用的更深入的研究。
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