Supporting data set for: Sulfur-deficient edges as active sites for hydrogen evolution on MoS2
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https://zenodo.org/record/10074993
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资源简介：
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].
创建时间：
2023-11-06
