DFT calculations of surface binding and interstitial hydrogen formation energ...
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https://b2find.eudat.eu/dataset/9655b6b9-2fca-509b-9379-5290993ebc66
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资源简介：
This dataset contains the results of density functional theory (DFT) calculations performed using Quantum ESPRESSO to study surface binding energies (SBE) and the formation...
本数据集收录了采用Quantum ESPRESSO开展的密度泛函理论（density functional theory, DFT）计算结果，用于研究表面结合能（SBE）及形成……
