43 citations · 43 across the 3 of their papers we have counts for
3 papers
Open-Shell Molecules as Sensitive Probes of Spin-Orbit-Controlled Surface Electronic Structure
Solange Mariel Di Napoli, Alexei Nefedov, María Andrea Barral +5
Open-shell molecules are highly sensitive probes of correlated oxide surfaces because their partially occupied frontier orbitals strongly amplify subtle changes in adsorbate-substr…
Polarization-dependent effects in vibrational absorption spectra of 2D finite-size adsorbate islands on dielectric substrates
Benedikt Zerulla, Marjan Krstić, Shuang Chen +9
In the last years, Infrared Reflection-Absorption Spectroscopy (IRRAS) became a standard technique to study vibrational excitations of molecules. These investigations are strongly…
Vibrational Frequencies of Cerium Oxide-Bound CO: A Challenge for Conventional DFT Methods
Pablo G. Lustemberg, Philipp Pleßow, Yuemin Wang +5
In ceria-based catalysis, the shape of the catalyst particle, which determines the exposed crystal facets, profoundly affects its reactivity. The vibrational frequency of adsorbed…