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Catalysis Discussion Session Summary1) 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 relaxationStructural dynamics, site selectivityIndividual nanoparticle structure and reactivity (presently hindered by

heterogeneity and size polydispersity)Kineticsin situ reactivity

Nanoscale measurementsCombined XAFS/XRD/DAFS (static, time-resolved (min), Quick (<s))High energy XRD (PDF)High pressure XPS High resolution fluorescence detection (secondary emission)

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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 beamlinesSoft 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-chambersSaturation problem with existing solid state detectorsUse of crystal analyzers (LSR based etc.)Fluorescence analyzers for high energy resolution fluorescenceArea detector

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5) What software and computing infrastructure requirements are there? (Control, data acquisition, analysis)

QXAFS and its software are itself an ongoing R&DNeed in developing rapid throughput data analysisAccess 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)