Abstract:Using density functional theory‐based calculation, we have investigated the structural and electrical properties such as atomic structure, energetics, band gap, and work function of various armchair and zigzag CdS nanoribbons. Our study establishes that the armchair nanoribbons are more favorable compared to zigzag nanoribbons. It also reveals that both the armchair and zigzag nanoribbons become more stable upon hydrogen passivation at the edges. With regard to band gap, it is found that all the armchair nanor… Show more
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