STRUCTURE, STABILITY, AND ELECTRONIC PROPERTIES OF LARGE FULLERENES
1993 ◽
Vol 07
(26)
◽
pp. 4305-4329
◽
Keyword(s):
The recent development in understanding the structures, relative stability, and electronic properties of large fullerenes is reviewed. We describe an efficient scheme to generate the ground-state networks for fullerene clusters. Combining this scheme with quantum-mechanical total-energy calculations, the ground-state structures of fullerenes ranging from C 20 to C 100 have been studied. Fullerenes of sizes 60, 70, and 84 are found to be energetically more stable than their neighbors. In addition to the energies, the fragmentation stability and the chemical reactivity of the clusters are shown to be important in determining the abundance of fullerene isomers.
2016 ◽
Vol 24
(04)
◽
pp. 1750049
◽
2005 ◽
Vol 19
(15n17)
◽
pp. 2380-2385
◽
2020 ◽
Vol 1431
◽
pp. 012056
Keyword(s):
2015 ◽
Vol 29
(27)
◽
pp. 1550184
◽
2012 ◽
Vol 516-517
◽
pp. 1889-1892
◽
2021 ◽
Vol 2052
(1)
◽
pp. 012049
Keyword(s):