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Using Density Functional Theory (DFT), band-gap modulation of C4NP-h2D nanoribbons and nanotubes under elastic strain is investigated in detail in this paper. The results indicate that the band gap of C4NP-h2D nanoribbons and nanotubes can be tuned in two ways, namely, stretching or compressing the nanoribbons and nanotubes whereby e is changed from −10–10% in zigzag and armchair shapes, respectively. It was also revealed that the band gap of C4NP-h2D nanoribbons and nanotubes changes with increasing widths. Therefore, the C4NP-h2D nanoribbons and nanotubes are predicted to have great potential applications in strain sensor and optical electronics at the nanoscale.

Modulating band gap of C4NP-h2D crystal nanoribbons and nanotubes under elastic strain

Modulating band gap of C₄NP-h2D crystal nanoribbons and nanotubes under elastic strain