Data for "Subsurface Hydrogen as a Hidden Driver of Copper Surface Reconstruction in CO₂ Electroreduction"
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资源简介：
The dataset includes the force field training dataset, the trained force field model, and the relevant calculation files for *Hsub incorporation barriers, Cu adatom formation barriers, hydrogen adsorption energies, and CO protonation.
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Zenodo创建时间：
2026-01-26
