The combined use of computational screening and electrochemical characterization for the identification of new electrolyte components for supercapacitors

结合使用计算筛选和电化学表征来鉴定超级电容器的新型电解质成分

基本信息

项目摘要

The project proposes the use of an innovative strategy for the identification of new electrolyte components for electrochemical double layer capacitors (EDLCs), in which computational screening and electrochemical characterization are combined. In order to realize advanced EDLCs the introduction of new electrolyte components, solvents and salts, is strongly needed. To identify a new component experimentally is difficult and time consuming, especially when dealing with a completely new group of compounds. In order to avoid a time consuming 'trial and error' approach, the introduction of an effective 'virtual' (i.e. computer-based) screening method is therefore of great importance. Such a screening should allow for a fast prediction of the properties of a large number of compounds from many different classes, which in turn would enable the identification of the most promising candidates. Recent work showed that this innovative approach can be successfully used for the identification of new electrolyte components and, thus, it should be seen as a new and powerful tool for the development of advanced EDLCs. Nevertheless, further investigations are needed to optimize such a strategy and, also, to understand the chemical-physical and electrochemical properties of new solvents and new conducting salts suitable for the EDLC technology.
该项目提出使用一种创新策略来识别电化学双层电容器(EDLC)的新电解质组分,其中将计算筛选和电化学表征相结合。为了实现先进的EDLC,强烈需要引入新的电解质组分、溶剂和盐。通过实验来识别新的成分是困难和耗时的,特别是在处理一组全新的化合物时。为了避免耗时的“试错法”,引入有效的“虚拟”(即基于计算机的)筛选方法是非常重要的。这种筛选应能快速预测许多不同类别的大量化合物的性质,从而能够确定最有希望的候选化合物。最近的研究表明,这种创新方法可以成功地用于识别新的电解质组分,因此,它应该被视为开发先进EDLC的新的强大工具。然而,需要进一步的研究来优化这种策略,并且还需要了解适合于EDLC技术的新溶剂和新导电盐的化学物理和电化学性质。

项目成果

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Professor Dr. Andrea Balducci其他文献

Professor Dr. Andrea Balducci的其他文献

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{{ truncateString('Professor Dr. Andrea Balducci', 18)}}的其他基金

Redox-active ionic liquids in redox-flow-batteries
氧化还原液流电池中的氧化还原活性离子液体
  • 批准号:
    392851120
  • 财政年份:
    2018
  • 资助金额:
    --
  • 项目类别:
    Research Grants
EDLstruct - Effect of carbon electrodes porous structure and electrolyte properties on the formation and composition of the electrical double-layer
EDLstruct - 碳电极多孔结构和电解质特性对双电层形成和组成的影响
  • 批准号:
    380691101
  • 财政年份:
    2017
  • 资助金额:
    --
  • 项目类别:
    Research Grants
Protic ionic liquids as innovative electrolytes for lithium-ion batteries
质子离子液体作为锂离子电池的创新电解质
  • 批准号:
    264118673
  • 财政年份:
    2015
  • 资助金额:
    --
  • 项目类别:
    Research Grants
New Electrolytes for Capacitive Electrochemical Storage
用于电容电化学存储的新型电解质
  • 批准号:
    431337203
  • 财政年份:
  • 资助金额:
    --
  • 项目类别:
    Research Grants
Novel In-Situ Electrolytes for Electrochemical Capacitors
用于电化学电容器的新型原位电解质
  • 批准号:
    463487968
  • 财政年份:
  • 资助金额:
    --
  • 项目类别:
    Research Grants
P1 - Self-healing electrodes for electro(chemical) energy storage
P1 - 用于电化学(化学)储能的自愈电极
  • 批准号:
    502258938
  • 财政年份:
  • 资助金额:
    --
  • 项目类别:
    Research Units
Influence of the electrolyte composition on the stability of polymeric materials for organic radical batteries (ElectroPoly)
电解质成分对有机自由基电池聚合物材料稳定性的影响(ElectroPoly)
  • 批准号:
    535375650
  • 财政年份:
  • 资助金额:
    --
  • 项目类别:
    Priority Programmes
Electro- and Photocatalytic N2 conversion with transition metal chalcogenides over 2D and 3D structured electrodes (NI-CONSTRUCT)
在 2D 和 3D 结构电极上使用过渡金属硫属化物进行电催化和光催化 N2 转化 (NI-CONSTRUCT)
  • 批准号:
    501901537
  • 财政年份:
  • 资助金额:
    --
  • 项目类别:
    Priority Programmes

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