Antimonene nanoribbon band-gap expansion: Bond contraction and edge quantum entrapment
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DOI: 10.1016/j.matchemphys.2018.02.032
Abstract: Abstract Combining the bond-order-length-strength corrected tight-binding (BOLS-TB) theory and the density functional theory (DFT) calculation, we clarified the energetic origin of the width-dependent band gap (Eg) expansion of the zigzag and armchair-edged antimonene nanoribbons (SbNRs)… read more here.
Keywords: quantum entrapment; band gap; expansion; edge quantum ... See more keywords