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Abstract
We present a computational study on the impact of line defects on the electronic properties of monolayer MoS $_{2}$. Four different kinds of line defects with Mo and S as the bridging atoms, consistent with recent theoretical and experimental observations, are considered herein. We employ the density functional tight-binding (DFTB) method with a Slater–Koster-type DFTB-CP2K basis set for ...
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