The effect of hydrogen functionalization on the thermal properties of coiled carbon nanotubes

Abstract

Making new materials to control heat transfer has always been of interest. Carbon-based nanomaterials are promising for heat transfer due to their excellent thermal properties. Coiled carbon nanotubes (CCNTs) are among artificial carbon nanostructures due to their special mechanical properties, including high stretchability and good thermal properties are often used in many applications such as making nanodevices or advanced nanocomposites. In this research, using the molecular dynamics simulation technique and non-equilibrium molecular dynamics method, the effect of hydrogen functionalization with hydrogenation percentages of 5, 15, and 30% on the thermal properties of spring nanotubes has been investigated. The results show that the thermal conductivity of CCNTs is strongly affected by functionalization. So that by functionalizing them by 5%, their thermal conductivity coefficient decreases by 50%. Also, unlike other carbon nanostructures, the thermal conductivity of CCNTs does not decrease with the increase in the degree of functionalization, so the coefficient of thermal conductivity of 30% hydrogenated CCNTs is higher than the hydrogenated samples with lower percentages

Keywords

• carbon nanostructures
• coiled nanotubes (ccnt)
• thermal properties
• non-equilibrium molecular dynamics