Electronic Structure and Redox Propertie
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Ramón Valencia; Antonio Rodríguez-Fortea; Anna Clotet; Coen de Graaf; Manuel N.
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Article
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2009
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John Wiley and Sons
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English
⚖ 622 KB
## Abstract An extensive study of the redox properties of metal nitride endohedral fullerenes (MNEFs) based on DFT computational calculations has been performed. The electronic structure of the singly oxidized and reduced MNEFs has been thoroughly analyzed and the first anodic and cathodic potentia