DFT investigation of endohedral boron oxide nanocapsules: Encapsulation of He, Ne, Ar, H, N, and Cl atoms

Article ID	Journal	Published Year	Pages	File Type
5374603	Chemical Physics	2012	10 Pages	PDF

Abstract

âº Electronic structure and stabilization energy of fullerene shape boron oxide nanocapsules (X@B20O30). âº Encapsulation of He, Ne, Ar, H, N, and Cl atoms. âº Boron oxide buckyball are potential candidate for gas storage.

Keywords

EDA Endohedral DFT Boron oxide Energy gap Nanocapsule

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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DFT investigation of endohedral boron oxide nanocapsules: Encapsulation of He, Ne, Ar, H, N, and Cl atoms

Authors

Hossein A. Dabbagh, Mehdi Zamani, Hossein Farrokhpour,