Abstract:Small‐sized cages of Cn are possible intermediate species for the formation of fullerene molecules in the discharge or laser vaporization reaction of graphite, but the studies on them are scattered mainly owing to their high reactivity and unavailability. Here, the coordinates of small‐sized carbon cages of Cn (n = 4‐30) are generated by our developed codes, and their stability and structural connectivity are studied using density functional theory. The interesting findings include the following: (a) Cage‐shap… Show more
“…The reactions involving carbon clusters above C 20 are crucial for the formation of fullerenes 52 so we only analyzed the corresponding time range. The results are shown in Fig.…”
“…The reactions involving carbon clusters above C 20 are crucial for the formation of fullerenes 52 so we only analyzed the corresponding time range. The results are shown in Fig.…”
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