Ligand effects in heterogeneous catalysis and electrochemistry

作者: T. Bligaard , J.K. Nørskov

DOI: 10.1016/J.ELECTACTA.2007.02.041

关键词: Surface reactivityAdsorption energyHeterogeneous catalysisInorganic chemistryComputational chemistryReactivity (chemistry)ChemistryElectrochemistryDensity functional theoryLigand

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, …

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