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Two-dimensional (2D) layered materials are at the forefront of research because of their unique structures and promising catalytic abilities. Here, the structural stability, electronic properties and gas adsorption of metal (V, Nb, Ta)-doped monolayer MoS2 have been investigated by density functional theory calculations. Our results show that the metal (V, Nb, Ta)-doped monolayer MoS2 is a stable...
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