Theoretical calculation of atomic and physical properties of some low-dimensional nanomaterials

Abstract

Low-dimensional nanomaterials have drawn much attention among the researchers due to exhibition of superior material properties. No literature values are available for some of the most important physical and atomic properties of these low-dimensional materials. So the present work investigates and reports some of the most important atomic and physical properties like atomic packing factor, theoretical density and coordination number of low-dimensional nanomaterials e.g. fullerene (zero-dimensional), carbon nanotube (one-dimensional), graphene, silicene and germanene (two-dimensional), which are otherwise not calculated before. The atomic packing factor varies with dimension and structure of material, while the theoretical density varies with dimension of material. Graphene and fullerene shows the highest and lowest packing efficiency respectively, while CNT and silicene shows the highest and lowest theoretical density. All the low-dimensional materials have same coordination number because of their hexagonal structure