Molecular modeling of organic redox‐active battery materials

Organic redox‐active battery materials are an emerging alternative to their inorganic counterparts currently used in the commercialized battery technologies. The main advantages of organic batteries are the potential for low‐cost manufacturing, tunability of electrochemical properties through molecu...

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Veröffentlicht in:	Wiley interdisciplinary reviews. Computational molecular science 2021-03, Vol.11 (2), p.e1495-n/a
Hauptverfasser:	Fornari, Rocco Peter, Silva, Piotr
Format:	Artikel
Sprache:	eng
Schlagworte:	Batteries Commercialization Computer applications Density functional theory Electroactive materials Electrochemical analysis Electrochemistry Electrode materials Energy storage Lithium Mathematical models Modelling molecular modeling Molecular modelling Molecular structure Nonaqueous electrolytes organic batteries organic electrodes Organic materials Oxidoreductions Properties Rechargeable batteries redox potential redox‐flow batteries Surveying Sustainability
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