![]() ![]() Similarly, a shift to a larger BE is taken to mean that the atom in sample 2 has a larger Q. Thus, a shift to lower BE from sample 1 to sample 2 is interpreted as meaning that the atom in sample 2 has a smaller positive Q or a larger negative Q than the same atom in sample 1. This will be a good starting point for researchers interested in applying MO theory to XPS measurements.Īn all too common interpretation of the shifts of XPS BEs, Delta BE, for a given element in different compounds and in different environments is to relate the sign of the BE shift to the change in the effective charge, Q, of the core ionized atom. Paul, Connie and Dick have made many outstanding contributions to the field of XPS, in particular by using computational chemistry approaches to model various XPS phenomena and spectral shapes - especially of transition metal species with complex multiplet splitting and satellite structures.ĭr. A recent publication from Paul Bagus (University of North Texas), Connie Nelin, and Dick Brundle discusses the chemical significance of XPS BE shifts. ![]()
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