Roman Kováčik

Maximally localized Wannier functions in LaMnO₃within PBE +<i>U</i>, hybrid functionals and partially self-consistent GW: an efficient route to construct<i>ab initio</i>tight-binding parameters for e_gperovskites

Cesare Franchini, Roman Kováčik, Martijn Marsman et al. · Journal of Physics Condensed Matter · 2012 · 144 citations · Full text

CO₂ Activation by ZnO through the Formation of an Unusual Tridentate Surface Carbonate

Yuemin Wang, Roman Kováčik, Bernd Meyer et al. · Angewandte Chemie International Edition · 2007 · 111 citations

<i>F</i> Centers versus Dimer Vacancies on ZnO Surfaces: Characterization by STM and STS Calculations

Roman Kováčik, Bernd Meyer, Dominik Marx · Angewandte Chemie International Edition · 2007 · 50 citations

Engineering, Zno Surfaces, Defect Tolerance +17

Spin caloric transport from density-functional theory

Voicu Popescu, Peter Kratzer, P. Entel et al. · Journal of Physics D Applied Physics · 2018 · 19 citations · Full text

CO₂ Adlayers on the Mixed Terminated ZnO(10-10) Surface Studied by He Atom Scattering, Photoelectron Spectroscopy and Ab Initio Electronic Structure Calculations

Konstantinos Kotsis, Dorothee Stodt, Volker Staemmler et al. · Zeitschrift für Physikalische Chemie · 2008 · 15 citations

Engineering, Solid-state Chemistry, Chemistry +21