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Tunable gap in stable arsenene nanoribbons opens the door to electronic applications

机译:稳定的砷纳米带中的可调间隙为电子应用打开了大门

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Arsenic has been predicted to present significantly more diverse 2D phases than other elemental compounds like graphene. While practical applications must be based on finite arsenene samples, like nanoribbons, theory has so far focused on the infinite sheet. Our ab initio simulations show the clear contrast between the properties of arsenene nanoribbons and those of the monolayer, ranging from phase stability to electronic structure. We include nanoribbons derived from the buckled, puckered and square/octagon structures of bulk arsenene. The flexibility afforded by different parent structures, widths and edge passivations leads to a rich variety of semiconducting structures with tunable gaps.
机译:预计砷会比其他元素化合物(如石墨烯)呈现出更多的2D相。尽管实际应用必须基于有限的砷样品(例如纳米带),但到目前为止,理论一直集中在无限薄板上。我们的从头算起的模拟表明,从相稳定性到电子结构,砷纳米带和单层膜的性能之间存在明显的对比。我们包括衍生自散装砷的弯曲,褶皱和方形/八边形结构的纳米带。不同的母体结构,宽度和边缘钝化所提供的灵活性导致了具有可调间隙的各种半导体结构。

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