464 citations · 700 across the 4 of their papers we have counts for
4 papers
CO adsorption on Cu(111) and Cu(001) surfaces: improving site preference in DFT calculations
M. Gajdos, J. Hafner
CO adsorption on Cu(111) and Cu(001) surfaces has been studied within ab-initio density functional theory (DFT). The structural, vibrational and thermodynamic properties of the ads…
CO adsorption on Cu(211) surface: first principle and STM study
Marek Gajdos, Andreas Eichler, Jurgen Hafner +2
Chemisorption of CO on the stepped Cu(211) surface is studied within ab-initio density functional theory (DFT) and scanning tunneling microscopy (STM) imaging as well as manipulati…
CO adsorption on close-packed transition and noble metal surfaces: Trends from ab-initio calculations
M. Gajdos, A. Eichler, J. Hafner
We have studied the trends in CO adsorption on close-packed metal surfaces: Co, Ni, Cu from the 3d row, Ru, Rh, Pd, Ag from the 4d row and Ir, Pt, Au from the 5d row using density…
Ab-initio density functional study of O on the Ag(001) surface
M. Gajdos, A. Eichler, J. Hafner
The adsorption of oxygen on the Ag(001) is investigated by means of density functional techniques. Starting from a characterization of the clean silver surfaces oxygen adsorption i…