Density functional study of M4 clusters (M=Cu, Ag, Ni, Pd) deposited on the regular MgO(001) surface
- 22 January 1999
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 299 (6) , 603-612
- https://doi.org/10.1016/s0009-2614(98)01183-x
Abstract
No abstract availableKeywords
This publication has 33 references indexed in Scilit:
- First principles study of adsorbed Cun (n=1–4) microclusters on MgO(100): Structural and electronic propertiesThe Journal of Chemical Physics, 1998
- Ab Initio Modeling of the Metal−Support Interface: The Interaction of Ni, Pd, and Pt on MgO(100)The Journal of Physical Chemistry B, 1998
- Systematic Density Functional Study of the Adsorption of Transition Metal Atoms on the MgO(001) SurfaceThe Journal of Physical Chemistry B, 1997
- Density functional cluster description of ionic materials: Improved boundary conditions for MgO clusters with the help of cation model potentialsInternational Journal of Quantum Chemistry, 1997
- Adhesive energy and charge transfer for MgO/Cu heterophase interfacesPhysical Review B, 1996
- Copper adsorption potentials of MgO(001)Physical Review B, 1995
- Electronic structures of Pd4 and Pt4The Journal of Chemical Physics, 1995
- Energetics, bonding mechanism, and electronic structure of metal-ceramic interfaces: Ag/MgO(001)Physical Review B, 1993
- Effective core potential-configuration interaction study of electronic structure and geometry of small neutral and cationic Agn clusters: Predictions and interpretation of measured propertiesThe Journal of Chemical Physics, 1993
- Configuration interaction calculation of the electronic spectra of MgF2:V+2The Journal of Chemical Physics, 1988