Local Isoelectronic Reactivity of Solid Surfaces

Details Local Isoelectronic Reactivity of Solid Surfaces Local Isoelectronic Reactivity of Solid Surfaces

1996-07-23

arxiv.org/abs/mtrl-th/9607013v1

Physics

Condensed Matter

Materials Science

RevTeX, 13 pages, 3 figures, to appear in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.77.1560

The quantity w^N(r) = ( 1/ k^2 T_el)[partial n(r, T_el) / partial T_el]_(v(r),N) is introduced as a convenient measure of the local isoelectronic reactivity of surfaces. It characterizes the local polarizability of the surface and it can be calculated easily. The quantity w^N(r) supplements the charge transfer reactivity measured e.g. by the local softness to which it is closely related. We demonstrate the applicability and virtues of the function w^N(r) for the example of hydrogen dissociation and adsorption on Pd(100).

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