New PDF release: Catalysis by Metals and Alloys

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

ISBN-10: 0444897968

ISBN-13: 9780444897961

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043 z where z is the number of electrons outside the argon shell. Transition metals show a contraction in R(1) and according to Pauling [17,18] this is due to the participation of d-orbitals in the metallic bond. He therefore introduced the concept of d-character 8(in %), a quantity expressing exactly how much of the bonding is due to the d-electrons. 100z) 8 (30) The form of equation 30 was chosen to describe the results and to fit the curves of R(1) vs z shown above only for the first row of transition metals.

1 and figure 14 below). In analogy with diatomic molecules, the lower part of the band is called bonding and the upper one antibonding. 1, equation 19). In principle, both the metal atoms, on left-hand side of figure 15, and the adsorbed atoms or molecules at high surface coverages can form a band of energy levels [66]. However, let us start with the simplest case. 15, left-hand side) The interaction of an atom with a solid can be described by one of the two limiting cases: (i) the interaction is weak and leads to a broadening of level A into a virtual band 36 chapter 1 inside the metal band; (ii) the interaction is strong and can be described as the formation of a pseudomolecule from atom A and one or several surface atoms of the surface; by interaction with the solid, the energy levels of the pseudomolecules are broadened again into a narrow band.

O. figure 13 Left and right: energy levels of atoms b and a, before a molecule AB has been formed. In the middle, energy levels (bonding-B, antibonding ab) corresponding to the molecule AB are formed by the interactions of electrons on the level b and a. In the crudest approximation: 2 89 A E = [4V2,b,a + (Eb-Ea) } , with Vo,a = ~dOo n ~ E a = ],/2(Eb+Ea) + {V2b, a + 1/4 (Eb-Eo)2} 89 dr, Structure and properties of metals and alloys l figure 14 One dimensional chain of atoms, with indicated numbers of atoms N a) b) - energy bands c) - density of states curve, corresponding to b) The theory for both limiting cases was developed in the 60's, and in some earlier pioneering papers [67].

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

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