One-dimensional ionic-bonded structures in NiSe nanowire

Abstract

One-dimensional van der Waals (1D vdW) materials, characterized by atomic chains bonded ionically or covalently in one direction and held together by van der Waals (vdW) interactions in the perpendicular directions, have recently gained intensive attention due to their exceptional functions. In this work, we report the discovery of one-dimensional (1D) ionic-bonded structures in NiSe nanowires. Utilizing aberration-corrected scanning transmission electron microscopy, we identified four distinct structural phases composed of two fundamental 1D building blocks: a triangle-shaped unit and a parallelogram-shaped unit. These phases can transform into one another through topotactic combinations of the structural units. Density functional theory calculations reveal that these structural units are bound by ionic bonds, unlike the van der Waals forces typically found in 1D vdW materials. The diverse arrangements of these building blocks may give rise to unique electronic structures and magnetic properties, paving the way for designing advanced materials with desired functionalities.