Adsorption site, adsorption energy and normal vibration frequency of H on Ni(100) via total-energy calculations.
作者： Cyrus Umrigar , John W. Wilkins
DOI: 10.1103/PHYSREVLETT.54.1551
关键词: Nickel 、 Physical chemistry 、 Adsorption 、 Hydrogen 、 Bond length 、 Crystal structure 、 Materials science 、 Absorption (chemistry) 、 Metal 、 Transition metal
摘要: … The bridge-site minimum lies only 0.1 eV higher than the center-site minimum, whereas the top-site minimum lies about 0.3 eV higher. This is consistent with a high hydrogen surface …
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