Published November 6, 2023
| Version v1
Dataset
Open
Supporting data set for: Sulfur-deficient edges as active sites for hydrogen evolution on MoS2
Authors/Creators
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1.
Norwegian University of Science and Technology
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2.
University of Iceland
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3.
Tampere University
Description
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].
Files
data.zip
Files
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