Exploring the New Crystalline 1D Chain Structures via Nanotube Encapsulation

Abstract

Encapsulation of different guest-species such as molecules, metals, pnictogen, halides, and transition metal chalcogenides inside nanotubes has been studied during the last decade and represents an exciting development of nano-engineering of novel materials and composites. The key mechanism ofthese experiments is the confinement effect induced by the cavities inside the nanotube, which makes the structure and detailed configuration ofthe quasi- one-dimensional (1D) nanostructures strongly dependent on the inner diameter of the nanotubes. Encapsulation of materials inside nanotubes has become a unique route toward novel quasi-1D nanostructures. In this study, we explore the new crystalline 1D chain structures via nanotube encapsulation. Firstly, we investigate the tetrahedral Si-GeX (X=S, Se) system, where the sharing modes are modulated through geometrical confinement effect. The confinement leads to intriguing modifications in the structural and electronic properties, offering new opportunities fortailored material design. Additionally, we explore the 1D magnetic MX and MX transition metal halide single-chains, specifically focusing on M=Cr, V and X=Cl, Br, I. We examine the magnetic properties ofthese chains and elucidate the influences of nanotube encapsulation on the behavior ofthe encapsulated species. By exploring the intriguing world of nanotube encapsulation, this study uncovers the hidden potential of 1D chain structures and showcases the transformative effects of confinement on material properties.