Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session B32: Gas Phase Clusters - Experiment and Theory in Concert (B): Metal ClustersFocus
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Sponsoring Units: DCP Chair: Marie-Pierre Gaigeot Room: BCEC 204A |
Monday, March 4, 2019 11:15AM - 11:51AM |
B32.00001: Mass Spectrometry and Theoretical Chemistry in Service of Catalysis Research: A Ménage-à-Trois at Its Best Invited Speaker: Helmut Schwarz The ultimate goal in heterogeneous catalysis is to make use of each and every atom of supported (metal) catalysts, i.e. in the extreme to perform single-atom catalysis (SAC). While this arduous task constitutes a non-trivial, if not daunting challenge in 'real-life' chemistry, in the gas phase SAC can be achieved in a rather straightforward manner by conducting experiments with mass-selected species under (near) single-collision conditions. These mass spectrometry-based studies on isolated reactants, when complemented by state-of-the-art computational and spectroscopic work, provide an ideal arena for probing the energetics and kinetics of a chemical process in an unperturbed environment at a strictly molecular level without being obscured by ill-defined side effects. Thus, the concept of SAC can be explored or, more generally, the mechanisms of reactions and the active parts of single-site catalysts, the so-called 'aristocratic' atoms, can be identified. |
Monday, March 4, 2019 11:51AM - 12:27PM |
B32.00002: From Clusters To Cluster Complexes Invited Speaker: Masahiko Ichihashi Adsorption and reactions of molecules on metal clusters have been considered as a fundamental model of catalysis, and attracted much attention both in basic science and industrial areas. Then, the elucidation of their geometric and electronic structures provides a helpful insight into the reaction mechanisms to improve the catalytic properties. Infrared spectra of the nanocatalyst in a helium cluster give much information on the structures related to the reactivity. Recently we have developed a technique to form cluster complexes, Com+Hen and Com+NOHen, by use of low-energy collision between helium clusters and metal cluster ions. This technique can provide significant amount of the cluster complexes, and we demonstrate the formation and the spectroscopy of the cluster complexes. |
Monday, March 4, 2019 12:27PM - 1:03PM |
B32.00003: Solved and Unsolved Cases of Transition Metal Cluster Surface Morphologies and Activities Invited Speaker: Gereon Niedner-Schatteburg We are investigating the surface morphology and adsorbate bonding properties of naked transition metal clusters under cryo conditions, and we have conducted a series of spectroscopic, kinetic and computational studies of the N2 adsorption onto size selected Cobalt and Nickel clusters [1-4], as well as a case study of N2 and H2 co-adsorption onto a selected Ruthenium cluster [5]. In the course of these studies we chose to investigate Iron clusters and Iron-Rhodium nanoalloys as well. We found some Iron clusters reluctant to attach neither Nitrogen N2 nor Hydrogen H2. This presentation puts the current level of understanding to the stage. |
Monday, March 4, 2019 1:03PM - 1:15PM |
B32.00004: Determination of the Electronic Structure of Titania-Supported Metal Clusters Liam Howard-Fabretto, Gunther G Andersson, Scott Anderson, Timothy Gorey, Gregory Metha, Vladimir Golovko Metal clusters are groups of metal atoms with sizes ranging between 2 and 100 atoms, possessing unique electronic and catalytic properties. This work aims to measure the valence electron density of states for titania-supported Ru3 clusters using the complimentary techniques UPS and metastable induced electron spectroscopy (MIES), and XPS will be used to determine the elemental composition. Ru clusters have been shown to be among the most active catalysts for industry-relevant reactions such as CO hydrogenation. |
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