Spin-dependent electronic structure at magnetic surfaces: the low-Miller-index surfaces of nickel

M Donath - Surface Science Reports, 1994 - Elsevier
The understanding, on a microscopic level, of magnetic phenomena at surfaces and
interfaces hinges on a detailed knowledge of the spin-dependent electronic structure …

Quenching of magnetic moments by ligand-metal interactions in nanosized magnetic metal clusters

DA van Leeuwen, JM Van Ruitenbeek, LJ De Jongh… - Physical review …, 1994 - APS
Local density functional calculations and experimental magnetization studies on giant nickel
carbonyl clusters are presented. The results show convincingly that the effect of the carbonyl …

Corrosion of electronic materials and devices

RB Comizzoli, RP Frankenthal, PC Milner, JD Sinclair - Science, 1986 - science.org
Electronic materials and devices corrode in the same ways as automobiles, bridges, and
pipelines, but their typically small dimensions make them orders of magnitude more …

The Douglas-Kroll-Hess approach to relativistic density functional theory: methodological aspects and applications to metal complexes and clusters

N Rösch, S Krüger, M Mayer, VA Nasluzov - Theoretical and …, 1996 - elibrary.ru
The authors are indepted to Dr. OD Häberlen, Prof. WA Herrmann, Prof. G. Pacchioni, Dr. S.
Ph. Ruzankin, and Prof. H. Schmidbaur for valuable contributions to various joint projects …

Ab initio density-functional study of NO on close-packed transition and noble metal surfaces: I. Molecular adsorption

M Gajdoš, J Hafner, A Eichler - Journal of Physics: Condensed …, 2005 - iopscience.iop.org
Ab initio density-functional calculations have been used to investigate the molecular
adsorption of NO on the close-packed surfaces of late transition metals (Co, Ni, Ru, Rh, Pd …

Localisation of adsorbate-induced demagnetisation: CO chemisorbed on Ni {110}

Q Ge, SJ Jenkins, DA King - Chemical Physics Letters, 2000 - Elsevier
First-principles calculations for the structural, electronic and magnetic properties of clean
and CO-adsorbed Ni {110} demonstrate that the spin-structure of the surface depends upon …

Nickel clusters: The influence of adsorbates on magnetic moments

MB Knickelbein - The Journal of chemical physics, 2002 - pubs.aip.org
Magnetic moments have been measured for bare, isolated nickel clusters Ni n and their
association complexes with carbon monoxide, oxygen, and hydrogen using a molecular …

Adsorbate-induced enhancement of the magnetic moments of iron clusters

MB Knickelbein - Chemical physics letters, 2002 - Elsevier
Magnetic deflection measurements were performed on Fen and Fe nH m (n= 10–25) in a
molecular beam experiment. The observed high-field deflections were analyzed using the …

Comments on the “Reply to comments on the paper 'On the nature of inhibition performance of imidazole on iron surface'” by JO Mendes and AB Rocha

A Kokalj - Corrosion Science, 2013 - Elsevier
Two DFT-GGA studies reported almost an order of magnitude different adsorption energies
of imidazole on Fe (100),− 0.7 vs.− 5.9 eV, which inevitably leads to conclusion that one of …

Inverse-photoemission studies of adsorbed diatomic molecules

PD Johnson, SL Hulbert - Physical Review B, 1987 - APS
We present inverse-photoemission observations of the unoccupied 2pi level for N 2, CO,
and NO adsorbed on Ni (001) and CO adsorbed on Pd (111). We also present results from a …