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cond-mat.mtrl-sci2026
Water adsorption on a model silicate surface: wollastonite (100)
Luca Lezuo, Andrea Conti, Alexander Hoheneder +7
Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure…
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…