2 papers
cond-mat.mtrl-sci2024
ViPErLEED package I: Calculation of curves and structural optimization
Florian Kraushofer, Alexander M. Imre, Giada Franceschi +6
Low-energy electron diffraction (LEED) is a widely used technique in surface-science. Yet, it is rarely used to its full potential. The quantitative information about the surface s…
cond-mat.mtrl-sci2024
Digging its own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst
Ali Rafsanjani-Abbasi, Florian Buchner, Faith J. Lewis +15
Determining the local coordination of the active site is a pre-requisite for the reliable modeling of single-atom catalysts (SACs). Obtaining such information is difficult on powde…