Theoretical Study of CCl3 Adsorption on C20 Fullerene
In this study, structural and electronic properties of CCl3 (carbon trichloride) doped fullerene (C20CCl3) were obtained by using Density Functional Theory. In this calculations, adsorption energy was obtained as -4.17 eV and -3.41eV for LDA and GGA, respectively. In optimized C20CC13 structure, bo...
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| Format: | Article |
| Language: | English |
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Gazi University
2020-03-01
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| Series: | Gazi Üniversitesi Fen Bilimleri Dergisi |
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| Online Access: | http://static.dergipark.org.tr/article-download/84a1/886a/9f22/5e79d6cd9c7fe.pdf? |