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Effect of Doping on Hydrogen Evolution Reaction of Vanadium Disulfide Monolayer

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Figure

Fig. 1 The representative structures of a fully H-covered VS2 331 supercell: a top view, b side view, and c doped VS2 in the 331 supercell
Fig. 1a. All of the systems with different hydrogen cover-
Fig. 4 a Calculated overpotentials of Ti-doped VS2 in the 331 supercell with and without spin polarization
Fig. 6 Calculated partial density of states of the Ti-doped VS2 monolayerin 441 supercell with a hydrogen coverage at: a 2/16, b 5/16, c 14/16,and d 16/16
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