| Abstract Scope |
Low dimensional carbon structures, such as carbyne, is part of a diverse group of impressive nanomaterials commonly suggested for use in nanocomposites or nanodevices. However, the most effective applications of these nanomaterials can vary depending on their dimension, geometry, and size. Using computational methods, we study the material property dependencies with respect to the dimension and size of the nanomaterials. We first predict the thermal and mechanical properties of carbyne (1D), a cyclo[18]carbon ring (2D), and cyclo[18]carbon and carbyne hybrid (1D-2D). We then study the nanomaterials on metal surfaces to investigate their interface properties and resulting mechanical and thermal property changes on metallic substrates. During investigation, we observe interface, mechanical, and thermal property dependencies on nanomaterials’ dimensions that we summarize to provide insight for carbon-based nanocomposites material selection. |