Atomic and Electronic Structures of 1D Phosphorus Nanoring and Nanohelix

Abstract

Elemental phosphorus, with its diverse polymorphs, presents intriguing opportunities for material design owing to its ability to stabilize in various allotropes. In this work, we investigate the one-dimensional (1D) phosphorus nanoring and nanohelix structure. 1D phosphorus allotropes are stabilized within the carbon nanotubes (CNTs) that act as nano reaction vessels. Transmission electron microscopy (TEM) imaging provides experimental evidence for the formation of nanoring and nanohelix structures. First-principles calculations show distinct orbital characters between valence and conduction bands and reveal strain-induced valence band reordering. Our findings provide a foundation for further studies into topological and optical properties of 1D phosphorus nanostructures.