MOLECULAR DESIGN OF NEW HIGH-CAPACITY REDOX ACTIVE ORGANIC COMPOUNDS FOR ENERGY STORAGE AND CONVERSION SYSTEMS

  • А. Ф. Шестаков Федеральный исследовательский центр проблем химической физики и медицинской химии РАН
Keywords: molecular design, organic cathodes, carbonyl compounds, organometallic frames, quantum chemical modeling, density functional theory

Abstract

New promising organic electrode materials based on carbonyl-containing molecules for lithium power sources with high theoretical specific capacities of 500 mAh/g and higher are proposed. They have a molecular weight of more than 400 and a flat structure, which should ensure their practical insolubility in electrolytes. In the case of nitrogen-containing molecules, the specific stored energy exceeds 2.6 eV per interstitial lithium atom. Redox-active bridging molecules have also been proposed for organometallic framework structures, which, due to their porous structure, are potentially capable of fast charge-discharge processes.

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Published
2024-04-09
How to Cite
Шестаков, А. (2024). MOLECULAR DESIGN OF NEW HIGH-CAPACITY REDOX ACTIVE ORGANIC COMPOUNDS FOR ENERGY STORAGE AND CONVERSION SYSTEMS. Rossiiskii Khimicheskii Zhurnal (Russian Chemistry Journal), 67(4), 59-64. https://doi.org/10.6060/rcj.2023674.11
Section
Статьи

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