Supporting data set for: Sulfur-deficient edges as active sites for hydrogen evolution on MoS2 (Q6697337)
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Dataset published at Zenodo repository.
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| English | Supporting data set for: Sulfur-deficient edges as active sites for hydrogen evolution on MoS2 |
Dataset published at Zenodo repository. |
Statements
Computed structures of the elementary steps of hydrogen evolution on MoS2 edges and basal plane, obtained with neutral supercells.Naming convention: POSCAR-[system]-[number of H after Volmer step]-[reaction]-[state].
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6 November 2023
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