Catalysis by Metals and Alloys by Vladimir Ponec and Geoffrey C. Bond (Eds.)

By Vladimir Ponec and Geoffrey C. Bond (Eds.)

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In position 2 it is five times Structure and properties of metals and alloys 35 smaller and in position 3 it is small and of the opposite sign; in position 5 it has no influence at all. Obviously, hardly any of the effect of nickel is through-the-lattice, viz. through the collective metal properties; it is clearly a short range, chemical bond effect. ) plays the most important role. We shall turn to this point in chapter 9 and shall see that this approach can be successful. The results for the calculated charge transfer and ligand effects show an interesting and clear picture: the simpler the theory is, the more pronounced is the charge transfer.

An extended comparison of experimental and theoretical UPS and XPS intensities has been presented [46]. 4 eV below the Fermi level strongly support the idea that hydrogen is present as atoms and not as protons which have injected their electrons into the d-holes of palladium. Interstitial alloys behave probably in a similar way. 4) we note that the alloys of s-metals have been also analyzed by CPA theory [49]. For these alloys the CPA theory predicts the existence of various localized states in the whole range of energies of valence electrons.

In an alloy, cells around elements of different electronegativity have different densities of electrons on their boundaries. e (Ate*)2 + Q (Anws)2] (31) 26 chapter 1 where P and Q are constants, f(c) is a symmetrical function of the molar ratios, and for an alloy AB forming a solid solution it is XA(1-XA), XA being the mole fraction of component A. A~)* is the difference in the values of ~* for the two elements, ~* being to a first approximation the work function ~; Anws is the difference in the values of electron densities in the Wigner-Seitz cells, all corresponding to A and B, respectively.

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