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Supporting data set for: Sulfur-deficient edges as active sites for hydrogen evolution on MoS2 - MaRDI portal

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Supporting data set for: Sulfur-deficient edges as active sites for hydrogen evolution on MoS2

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DOI10.5281/zenodo.10074994Zenodo10074994MaRDI QIDQ6697337

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 6 November 2023

Copyright license: No records found.



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].






This page was built for dataset: Supporting data set for: Sulfur-deficient edges as active sites for hydrogen evolution on MoS2

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