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Dataset from Nature Catalysis paper: Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction

Dataset of the article "Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction" accepted in Nature Catalysis. The optimized geometries (in VASP format) and full 100-ps AIMD trajectories (in xyz format) of Pt(111)/water interf

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CreatorShah, Aamir Hassan
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Published2022-08-27
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DOI10.5281/zenodo.7026971
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Downloads2,183
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Licensecc-by-3.0-us
File Size7.2 GB
Data TypeDataset
Published2022
Licensecc-by-3.0-us
Total Views1,481
Total Downloads2,183

Dataset of the article "Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction" accepted in Nature Catalysis.

The optimized geometries (in VASP format) and full 100-ps AIMD trajectories (in xyz format) of Pt(111)/water interface with alkali metal cations (Li+, Na+, K+) and with or without surface *OH.

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Dataset from Nature Catalysis paper: Unriddling the role… (Full Dataset)7.2 GB
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Files are hosted on the source repository. Click download to access the full dataset.

Shah, Aamir Hassan (2022). Dataset from Nature Catalysis paper: Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction. https://doi.org/10.5281/zenodo.7026971
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