Abstract
What happens to the electronic properties of a two-dimensional material when it is not ideal anymore? In order to answer this question, the authors studied more than 150 different structural triangular defects in periodic MoS${}_{2}$ monolayers by means of density-functional calculations, thereby varying the defect size and their distance within the monolayer. The resulting energetic properties can be viewed as a combination of edge and bulk properties dominated by the defect size. Mid-gap edge-localized states are introduced into the density of states by the defects. The grade of orbital localization was quantified by a newly defined localization parameter.
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