Bandgap Modulation of the C2N-h2D Nanomaterials under Elastic Strains

Abstract

Since the C2N-h2D crystal was efficiently synthesized, this study aims to investigate bandgap modulation of nanoribbons and nanotubes. Appling Density Functional Theory (DFT), the band-gap modulation of C2N-h2D nanomaterials is researched under elastic strains. The results of the current study indicate that the band gap of C2N-h2D nanoribbons and nanotubes can be tuned along two directions, namely, stretching or compressing nanoribbons and nanotubes when ɛ is changed from -10% to 10% in zigzag and armchair, respectively. This study also finds that the band gap of the C2N-h2D nanoribbons and nanotubes change with increase of widths or the radii of nanotubes. Therefore, the great potential applications of the C2N-h2D nanomaterials have been predicted in strain sensor and optical electronics at nanoscale.