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Updated: May 9, 2026

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
Published on: November 28, 2017
Joined edges in MoS2: metallic and half-metallic wires
1Department of Physics, University of Central Florida, Orlando, FL 32816, USA.
Abstract:
We present the results of first-principles electronic structure investigations, using spin-polarized density-functional-theory, of the electronic and geometric structures of the joined edges formed between two domains of single-layer MoS2. We find joined-edge defects to be metallic or half-metallic wires in the considered models. More interestingly, we find the signature of magnetism in the joined-edge defect formed between two Mo-terminated (1010) edges. Analysis of the geometric structure leads us to the conclusion that certain joined-edge defects undergo (2 × 1) reconstruction.
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