Вычислен потенциал взаимодействия между молекулой фуллерена С 60 и однослойной углеродной нанотрубкой. С его помощью рассчитаны равновесное расстояние и энергия связи в зависимости от радиуса нанотрубки и расположения молекулы (внутри и снаружи нанотрубки). Определен минимальный размер нанотрубки, внутри которой может находиться молекула фуллерена. Полученные результаты хорошо согласуются с экспериментальными данными.
A new and simple equation of state of a monatomic quantum crystal is constructed using the continuum approximation for interacting atoms and the Mie-Gruneisen theory. The equation makes it possible to describe the phase diagram both in the region of compressive pressures and in the vicinity of the critical point. Expressions for critical volume, pressure and temperature are found analytically. Comparison of numerical calculations with experimental data for helium shows satisfactory agreement.
In this work, thickness and cohesive specific energy are calculated for two-layer graphene with close-packed C60 in a sandwich structure. The results obtained (1.32 nm and 0.358 J/m^2) showed good agreement with the known, previously obtained experimental data for hybrid carbon nanostructures and graphite.
The article discusses a hybrid nanomaterial - a monolayer of C60 molecules, which is located between a single-layer graphene and a metal substrate. Using the Lennard-Jones potential, formulas for the specific interaction energy of C60 fullerene molecules with single-layer graphene and a thick substrate are obtained. The specific energy of graphene adhesion and the equilibrium parameters of the considered nanostructure are calculated. The obtained theoretical results agree with the available experimental results.
A theoretical model describing the stability of a carbon nano-onion in the presence of a bulk catalytic graphite phase is constructed based on the continuum approximation of interatomic interaction potential and mechanics of deformed systems. It is shown that a carbon nano-onion becomes unstable when its radius exceeds double value of the radius of a fullerene C_60 molecule.
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