Search Results - "Druzinic, R"

Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide by Hermann, K., Witko, M., Druzinic, R., Tokarz, R.

“…The local electronic structure at the V2O5(010) surface is studied by ab initio density functional theory (DFT) methods using gradient-corrected functionals…”
Get full text

Properties and identification of oxygen sites at the V2O5(010) surface: theoretical cluster studies and photoemission experiments by Hermann, K, Witko>, M, Druzinic, R, Chakrabarti, A, Tepper, B, Elsner, M, Gorschlüter, A, Kuhlenbeck, H, Freund, H.J

“…Density functional theory cluster studies and angular resolved photoemission (ARUPS) measurements were performed to examine properties of differently…”
Get full text

Hydrogen assisted oxygen desorption from the V2O5(010) surface by Hermann, K, Witko, M, Druzinic, R, Tokarz, R

“…Vanadium oxide surfaces are well known to play an active role as catalysts in hydrocarbon oxidation reactions where oxygen from different surface sites…”
Get full text

Ab Initio Density Functional Theory Studies of Hydrogen Adsorption at the V2O5(010) Surface by Hermann, K., Chakrabarti, A., Druzinic, R., Witko, M.

“…The adsorption of hydrogen at the V2O5(010) surface is studied by ab initio density functional methods in FP‐LAPW calculations for V2O5(010) + H single layer…”
Get full text

Nonperturbative theory of magnetocrystalline anisotropy energyfor wires and rings of Fe adatoms by Druzinic-acute, R., Hübner, W.

Get full text

Oxygen vacancies at oxide surfaces : ab initio density functional theory studies on vanadium pentoxide: Special Issue: Surface Physics by HERMANN, K, WITKO, M, DRUZINIC, R, TOKARZ, R

Get full text

Theory of Magnetocrystalline Anisotropy Energy for Wires and Corrals of Fe adatoms: A Non-Perturbative Theory by Druzinic, R, Hubner, W

“…The magnetocrystalline anisotropy energy $E_{anis}$ for free-standing chains (quantum wires) and rings (quantum corrals) of Fe-adatoms $N=$(2...48) is…”
Get full text