By Jack D Dunitz; et al

ISBN-10: 0387076719

ISBN-13: 9780387076713

ISBN-10: 3540076719

ISBN-13: 9783540076711

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35 ( R e f . 5 2 ) . O a t o m farther in CO and N O . 94 Calculations for atomic nitrogen adsorbed on W(100) surfaces were performed along the same lines (48). The results are summarized in Fig. 34c. The most favourable site for atomic adsorption is the 5 CN site, as suggested by the interpretation of LEED experiments (51). Negative charge accumulates on the nitrogen atom at all sites, indicating an increase in work function on nitrogen adsorption. Such an increase was indeed found for a number of tungsten faces, but on the (100) face a lowering of work function was found.

1972). 42. : Surface Sci. 33, 493 (1972). 43. : Phys. Rev. 7, 3629 (1973). 44. , Avoird, A. Van der: Phys. Rev. B 8, 2441 (1973). 45. : J. Chem. Phys. 62, 3193 (1975). 46. , Avoird, A. Van der: Surface Sci. 29, 501 (1972). 47. Anders, L. : J. Chem. Phys. 59, 5277 (1973). 48. Anders, L. : J. Chem. Phys. 62, 1641 (1975). 49. : J. Chem. Phys. 45, 2254 (1966). 50. : J. Chem. Phys. 26, 1147 (1957). 51. : Surface Sci. 26, 109 (1971). 52. Anderson, A. : J. Chem. Phys. 61, 4545 (1974). 53. : Phys. Rev.

Numbering of atoms as in Fig. 31. 3 I I I Fig. 33. Binding energy (eV) as a function of the distance (A) between hydrogen and the central Ni atom for the adsorptions sketched in Fig. 32. The lowest curve represents the Ni - H molecule energy. 4 eV. On going from the bulk clusters to surface clusters the following changes may be noted: a shift of electrons to the surface, an increase of the amount of d character and a larger cohesion energy. All these ef' fects increase in the order (111) < (100) < (110).

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Bonding Forces by Jack D Dunitz; et al

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