作者: T. Bligaard , J.K. Nørskov
DOI: 10.1016/J.ELECTACTA.2007.02.041
关键词: Surface reactivity 、 Adsorption energy 、 Heterogeneous catalysis 、 Inorganic chemistry 、 Computational chemistry 、 Reactivity (chemistry) 、 Chemistry 、 Electrochemistry 、 Density functional theory 、 Ligand
摘要: … state(s), ɛ a , the d-density of states projected onto the metal … moment of the n d (ɛ), the center of the d-band, ɛ d , as the … a shift in the d-states can be measured as a core-level shift, …