Substitutional doping of B, Al and N in C-60 structure

Date

2002-09-27

Author

Türker, Burhan Lemi

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Substitutional doping of B, Al and N atoms in C-60 skeleton are investigated by using AMI (UHF) type semiempirical quantum chemical calculations. Energetically they are all stable but highly endothermic structures. However, the size of Al atom may be a considerable drawback.

Subject Keywords

Substitutional doping, Fullerenes, C-60, BC59, AIC(59), NC59

URI

https://hdl.handle.net/11511/62256

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(02)00313-5

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “Substitutional doping of B, Al and N in C-60 structure,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 149–153, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62256.