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Effects of configuration-dependent hybridization on core-level photoemission spectra

1995; Elsevier BV; Volume: 71; Issue: 1 Linguagem: Inglês

10.1016/0368-2048(94)02276-3

1873-2526

Kozo Okada, Akio Kotani,

CO2 Reduction Techniques and Catalysts

The Ni2p X-ray photoemission spectrum (XPS) for NiCl2 is reanalyzed on the basis of a NiCl64− cluster model. By taking into account the electron configuration dependence of the hybridization strengths between Ni3d and Cl3p orbitals, we show that the model can consistently reproduce the experimental 2p-XPS and the energy gap of the system.