Rights accessRestricted access - publisher's policy
Density functional calculations which explicitly use the density gradient type nonlocal corrections to exchange and
correlation are reported for the adsorption of atomic nitrogen and oxygen on the four-fold sites of (100) copper and silver
surfaces simulated by Cu, and Ag, clusters. Binding energies, equilibrium distances and harmonic vibrational frequencies
are in good agreement with the available experimental and high level theoretical data. An ionic contribution is found in the
bonds between N and 0 and Cu and Ag clusters. Metal d orbitals are involved in the covalent part of the bond.
CitationTorras, J. [et al.]. Density functional study of atomic nitrogen and oxygen chemisorption on model clusters simulating the Cu and Ag ( 100) surfaces. "Journal of molecular catalysis A. Chemical", 23 Maig 1997, vol. 119, núm. 1-3, p. 387-392.
All rights reserved. This work is protected by the corresponding intellectual and industrial property rights. Without prejudice to any existing legal exemptions, reproduction, distribution, public communication or transformation of this work are prohibited without permission of the copyright holder. If you wish to make any use of the work not provided for in the law, please contact: email@example.com