Thermal Stability of C60 and C70 Fullerites

Motion of nanovehicles on pristine and vacancy-defected silicene: implications for controlled surface motion

“…68 It is worth mentioning that both the silicene monolayer and C 60 and C 60 -based nanovehicles are proven to be thermally stable in the temperature range of simulations of this investigation. [69][70][71][72][73] In the current study, Tersoff potential 74 has been used to model the intramolecular interactions in the silicene monolayer, in which silicon point vacancies and their energetics show reasonable agreement with quantum mechanical results. Jannatul Islam et al 75 have used this Tersoff potential for Si-Si interactions, to study the effects of different types of vacancies (bi-vacancy, point vacancy, mixed vacancy) and vacancy concentrations on the thermal conductivity of 2D silicon carbide.…”

“…68 It is worth mentioning that both the silicene monolayer and C 60 and C 60 -based nanovehicles are proven to be thermally stable in the temperature range of simulations of this investigation. 69–73…”

Construction of semiclassical interatomic B–B pair potential to characterize all-boron nanomaterials

“…The parameters of the Mie-Lennard-Jones pair potential for nearest bond-forming fullerenes or interfullerene interaction in fcc-fullerites were determined [32] from the data on correlation revealed between fullerene mass and corresponding fullerite properties. The experimentally observed fact that under the same conditions C70 fullerite is more stable than C60 was explained [33] by calculation equilibrium bond energy between C60-C60 and C70-C70 fullerene pairs using the potential energy curve for interaction between two identical hollow spherical molecules, which is given with formula including the Lennard-Jones potential parameters.…”