On hydrogen chemisorption on metals

Chemisorption Theory at Submonolayer Coverages: Influence of the Dynamic Hopping on the Electronic Characteristics

“…The increasing of tends to reduce the influence of the increasing value of the coverage and this suggests decreasing of the effective adatom-substrate interaction. It is also consistent with our previous discussion concerning the parameter ζ [7,8]. It is important to note that the dynamic hopping renormalizes not only the hopping strength, as in this case the symmetry of the adatom density of states should remain unchanged also for nonzero values of ζ, but also renormalizes the adatom level position and the correlation strength.…”

“…The Hamiltonian which may describe the chemisorbed hydrogen-like overlayer on metal surfaces can be written as follows [6,7]:…”

“…[6] and in our recent papers [7][8][9][10][11][12]. The model (1) can be viewed as a generalization of the N-A Hamiltonian to the case of many adatoms chemisorbed on the metal surface.…”

“…The generalized Hamiltonian describing the chemisorption process was constructed on a base of the microscopic considerations. This model was carefully investigated in our recent works [7][8][9][10][11][12] in the context of the mean-field (Hartree-Fock (HF)) approximation as well as beyond HF approximation for the one-adatom case and for submonolayer coverages. Even in the simplest version this model shows that along the usual term describing the adatom-substrate charge transfer as in N-A Hamiltonian, socalled dynamic hopping terms may be essential (see also [13,14]).…”

Chemisorption Isotherms for Ising Anderson Hamiltonian

“…[6] . (see also [7]). The complex adsorbate-adsorbent system was represented by the sum of electron subsystem (the substrate band electrons plus the adatom valence electrons) and the ion subsystem (adions plus ions forming the substrate metal).…”