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Catalysis Discussion Session Summary

Catalysis Discussion Session Summary. What are the key scientific drivers? What experiments will NSLS-II enable that are not presently possible? Complexity of metal nanocatalysts; structure-function relationship; Role in catalysis: Cluster-support/adsorbate interactions, structural relaxation

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Catalysis Discussion Session Summary

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  1. Catalysis Discussion Session Summary • What are the key scientific drivers? What experiments will NSLS-II enable that are not presently possible? • Complexity of metal nanocatalysts; structure-function relationship; • Role in catalysis: • Cluster-support/adsorbate interactions, structural relaxation • Structural dynamics, site selectivity • Individual nanoparticle structure and reactivity (presently hindered by • heterogeneity and size polydispersity) • Kinetics • in situ reactivity • Nanoscale measurements • Combined XAFS/XRD/DAFS (static, time-resolved (min), Quick (<s)) • High energy XRD (PDF) • High pressure XPS • High resolution fluorescence detection (secondary emission)

  2. 2) What technical capabilities will these require? (Beamlines, endstations, undulators…) Nanoscale beam size (hard x-ray nanoprobe) High flux/high energy cutoff (damping wiggler or undulator) 3-pole wiggler beamlines Soft x-ray beamline (NEXAFS, XPS) 3) Estimate of community size. 50-60 university/national lab/industry groups 4) What detector requirements does this field have? Do these require R+D? Timing (0.1 s) limitation in ion-chambers Saturation problem with existing solid state detectors Use of crystal analyzers (LSR based etc.) Fluorescence analyzers for high energy resolution fluorescence Area detector

  3. 5) What software and computing infrastructure requirements are there? (Control, data acquisition, analysis) • QXAFS and its software are itself an ongoing R&D • Need in developing rapid throughput data analysis • Access to state of the art numerical methods (DFT/MD/Monte-Carlo) • (collaboration with BNL) • 6) Any particular conventional facility requirements? • Chemistry labs, special gas handling (pure H2, CO)

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