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Density functional theory characterization of lanthanum nitride endohedral fullerene: La3N@C92

โœ Scribed by Jiajia Zheng; Xiang Zhao; Jingshuang Dang; Yongmei Chen; Qian Xu; Weiwei Wang


Book ID
113555070
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
456 KB
Volume
514
Category
Article
ISSN
0009-2614

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## 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