Carbon is an element with extremely versatile bonding properties and theoretical
calculations have suggested the possible existence of several hundred structural allotropes …

Endohedral metallofullerenes have fascinating core–shell structures, with metal atoms or
metal clusters encaged in fullerene cages, and they display various chemical, optical and …

Two-dimensional (2D) materials have considerably expanded the field of materials science
in the past decade. Even more recently, various 2D materials have been assembled into …

Using density functional theory with van der Waals (vdW) corrections, we study the collapse
of free-standing single-walled carbon nanotubes (also called “dogbone” nanotubes). Their …

We examine a variant of so-called carbon nanotube peapods by packing C60 molecules
inside the open edge ducts of collapsed carbon nanotubes. C60 insertion is accomplished …

Molecular fractionation with conjugate caps (MFCC) method is introduced for the efficient
estimation of quantum mechanical (QM) interaction energies between nanomaterial (carbon …

The inner cavities of carbon nanotubes (CNTs) have attracted much attention for one-
dimensional structures and their unique properties. The encapsulation of hetero-structures …

We demonstrate an inflatable nanoballoon actuator based on geometrical transitions
between the inflated (cylindrical) and collapsed (flattened) forms of a carbon nanotube. In …

Here we present a comprehensive investigation of various novel composite structures based
on graphene (G) and molybdenum disulphide (MoS 2) monolayers decorated by C 60 …

A variety of iodine-based one-dimensional (1-D) nanocrystals were introduced into double-
wall carbon nanotubes (DWCNTs) using the molten phase method, as an intermediate step …