Neutrons for Catalysis: A Workshop on Neutron Scattering Techniques for Studies in Catalysis
(Final Report: ORNL/TM-2011/458)

Workshop Flyer

The Office of Basic Energy Sciences Workshop report, Basic Research Needs: Catalysis for Energy, identifies catalysis as “the essential technology for accelerating and directing chemical transformation” and calls for “advanced experimental and theoretical methods …to achieve deeper fundamental understanding, specifically for significantly enhanced temporal, spatial, and energy resolution of catalysts in the presence of complex reacting mixtures under realistic reaction conditions.”  Neutron scattering methods are specifically identified in the report.  To address this challenge a Workshop will be held September 16 and 17 at Oak Ridge National Laboratory (ORNL), the home of the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR).  The goal of this workshop is to bring leaders in the catalysis and biocatalysis communities together with experts in neutron science to explore the use of neutron methods to address grand science challenges in catalysis.

The meeting will discuss five principle topics in five sessions:

• Meeting Grand Science Challenges in catalysis through neutron scattering techniques
• Structural characterization of catalysts and catalytic materials
• Probing dynamics of molecules in catalysts systems by inelastic neutron scattering
• Probing biocatalysis by neutron scattering methods
• Modeling of Catalysts, Catalysis and Neutron Experiments; A crosscutting activity

Speakers include:

• Peter Stair, Northwestern University
• Eugene Mamontov, ORNL
• Jeroen A. van Bokhoven, ETH Zurich
• David Sholl, Georgia Tech
• Robert Blankenship, Washington University
• A. J. Ramirez-Cuesta, ISIS
• Juergen Eckert, UCSB and LANL
• Bruce Gates, UC Davis
• Peter Albers, AQura
• Thomas Proffen, LANL
• Paul Langan, LANL

Subsequent breakout sessions will be held to further explore the possibilities and potential for using neutron scattering methods for catalysis. Presentations are intended to mix experts in catalysis and experts in the use of neutron scattering methods for probing catalysis or catalytically relevant materials.  Sessions will include extensive discussion and Q&A session. Breakout sessions will allow all participants an opportunity to explore how they might apply neutron methods to address the challenges in their catalysis research.  By the end of the Workshop, the attendees should have the vision and knowledge to prepare their own beamline proposal for performing experiments at the HFIR, SNS or other neutron science center.

The planned output of this action-oriented workshop is:

• A dedicated issue of Topics in Catalysis including contributed and invited articles related to the use of neutrons to probe catalysis and catalytic materials
• A multi-author journal article that highlights and summarizes strategic areas, identified in the Workshop, where catalysis science could be advanced by neutron science.
• Identification of proof of principle catalysis experiments using neutrons that would be awarded beamtime in 2011, and
• Planning for a dedicated session at future American Chemical Society annual meeting.