Using the first-principles calculation, we investigate electronic and optical properties of the zigzag and armchair edges shaped arsenene nanoribbons. The results show that the zigzag and armchair edge arsenene nanoribbons with different widths always exhibit semiconductor properties independently of the widths, and the band gap decreases with the increase of bandwidth due to the quantum size effect. With the increase of the band width, the imaginary parts of the dielectric function exhibit a red shift trend, which is caused by the electron transfer between the valence and conduction bands. Our calculations provide electronic and optical evidence, besides using them for optoelectronic devices, AsNRs could be a potential candidate for photoelectron chemical application.

使用第一性原理计算，我们研究了锯齿形和扶手椅边缘形状的砷烯纳米带的电子和光学特性。结果表明，不同宽度的锯齿形和扶手椅边缘砷烯纳米带总是表现出与宽度无关的半导体特性，并且由于量子尺寸效应，带隙随着带宽的增加而减小。随着能带宽度的增加，介电函数的虚部呈现红移趋势，这是由价带和导带之间的电子转移引起的。我们的计算提供了电子和光学证据，除了将它们用于光电器件之外，AsNRs 可能是光电子化学应用的潜在候选者。