Identifying the Structure of Supported Metal Catalysts Using Vibrational Fingerprints from Ab Initio Nanoscale Models (Small 34/2023)
Source abstract
Abstract
Pd Nanocatalysts Ceria-supported palladium nanoparticles exposed to carbon monoxide have been investigated by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) measurements and density functional theory (DFT) calculations. The molecular vibrations of the CO adsorbates and related infrared intensities have been used as a marker for identifying the structure of the catalyst by comparing experiments and theoretical predictions. More details can be found in article number 2300945 by David Loffreda and co-workers.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Machine Learning in Materials Science · Electron and X-Ray Spectroscopy Techniques
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Affiliations
ENS de Lyon CNRS UMR 5182 Laboratoire de Chimie UMR CNRS 5182 46 Allée d'Italie 69364 Lyon France
Institute for Chemical Technology and Polymer Chemistry (ITCP) Karlsruhe Institute of Technology (KIT) Engesserstraße 20 76131 Karlsruhe Germany
References
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