Synthesis of heterofullerenes by laser ablation

Improved hydrogen storage in Ca-decorated boron heterofullerenes: a theoretical study

“…26,27 Since then, a variety of heterofullerenes with different boron concentrations have been produced on a macroscopic scale. [28][29][30][31][32][33][34][35][36][37] We show that incorporating boron stabilizes the Ca-decorated fullerene, and also increases the interaction of hydrogen molecules with this system. The optimal interaction strength can be obtained from the rationalization that follows.…”

Vibrational, electronic, and vibronic excitations of polarC60F18molecules: Experimental and theoretical study

“…3 This type of doping involves substitution of one or more C atoms in the cage with heteroatom, and known examples from experiment include azafullerenes 4 and C 58 BN. 5 Exohedral derivatization of fullerenes is more common and more extensively developed type of chemical modification, and possibilities for obtaining functionalized fullerenes with tunable optical gaps have recently been explored. 6 Among the products of polyadditions to fullerenes, fluorinecontaining derivatives stand out due to the their highly enhanced electron-accepting properties ͑C 60 F 48 has a recordhigh electron affinity of 4 eV among fluoro-organic compounds 7 ͒, high thermal stability, and wide range of available compositions and diversity of molecular structures.…”

Ab initio quantum chemical studies of fullerene molecules with substitutes C59X [XSi, Ge, Sn], C59X− [XB, Al, Ga, In], and C59X [XN, P, As, Sb]

“…Synthesis and isolation of heterofullerenes, such as, C 60− x B x ( x 1–2) 3–7, C 59 N 8–13, C 59 O, 14, 15, C 60− x Si x , 16–24, C 59 P, 25 and transition‐metal doped C 59 M (MPt, Fe, Co, Ni, Rh, Ir) 26, 27 have been carried out successfully 3. It is known that crystal lattice defects and impurities significantly influence the properties of traditional materials.…”