Published August 27, 2022
| Version v1
Dataset
Open
Dataset from Nature Catalysis paper: Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction
Authors/Creators
- 1. University of California, Los Angeles
Description
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.
Files
Files
(7.7 GB)
| Name | Size | |
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md5:a7dcb1d0830511886d0fa1d062d2f347
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14.3 kB | Download |
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md5:647ca9b76ffddb21d237a64bd4fd0285
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1.3 GB | Download |
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md5:a0879c9e4f313cee429bef232632a37a
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14.3 kB | Download |
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md5:889906e0354504b330233bd79dec6703
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1.3 GB | Download |
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md5:a756043bfb14465338ea26d2121f3d2f
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14.3 kB | Download |
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md5:19fc4b2e7c111d9fa7a881d8dad1a836
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1.3 GB | Download |
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md5:c38dbc39896729e60486c5b527009f28
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14.0 kB | Download |
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md5:ce7a9c5b1c06ea74f75082c52dbb52f1
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1.3 GB | Download |
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md5:5d39f1daf03f4e9d39e9b1000df44f11
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14.0 kB | Download |
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md5:58133a6aa68a91428c4220f97b98bca6
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1.3 GB | Download |
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md5:6f5bbb395a3ca1f91edf42ee3255ccc0
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14.0 kB | Download |
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md5:b67fe817a5b55c536813623a732eb618
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1.3 GB | Download |