National Science Foundation Workshop
Future Directions in Catalysis:
Structures that Function at the Nanoscale

NSF Headquarters
Arlington, VA
June 19-20, 2003


The Catalysis Workshop was organized and directed by:

  Prof. Mark E. Davis
Chemical Engineering
California Institute of Technology

Prof. T. Don Tilley
University of California, Berkeley

The Catalysis Workshop was sponsored by:


Dr. Glenn L. Schrader
National Science Foundation
Division of Chemical & Transport Systems
Kinetics, Catalysis & Molecular Processes Program

Dr. Katharine J. Covert
National Science Foundation
Division of Chemistry
Inorganic, Bioinorganic and Organometallic Chemistry Program

Background and Objectives
Recent advances in the synthetic methodologies used to control nanometer-sized assembly, analytical methodologies employed to identify and probe structure at the nanometer length scale, and predictive capabilities used to provide guiding principles of nanometer scale structure/property relationships suggest that the synthesis of new catalysts with unprecedented control of the structure at the nanometer length scale is likely in the near future. Additionally, nanofabrication methods have developed to the point where size, shape and functionality of materials can be controlled at the length scale of tens of nanometers. Thus, catalytic systems with control over multiple length scales spanning the atomic, molecular and nanometer scales are on the near horizon. This unprecedented control of structure and composition will lead to unprecedented control over reaction efficiencies and selectivities.

The purpose of the workshop was to bring together a leading group of engineers and scientists from academia, industry and government agencies to focus on the future directions of catalysis. The workshop objectives were to:

  * Assess the state-of-the-art in synthetic methodologies aimed at specifically creating organization at the nanometer length scale for the preparation of catalytic materials for the exploitation of catalysis to create other materials.
* Assess the state-of-the-art analytical methodologies as they apply to the study of reacting materials in order to address whether they can provide reliable information sufficient to define structure/function at the nanometer length scale.
* Assess the state-of-the-art computational methodologies regarding their ability to provide quantitative descriptions and accurate predictions of systems that have nanometer scale organization.
* Provide visionary statements as to what future synthetic methodologies might be, what nanometer scale architectures might arise from these assembly strategies, and what will be necessary to achieve the creation and exploitation of these new materials in future technologies.
* Provide guiding statements for educational and training needs.
* Provide guiding statements for interactions with other national initiatives such as the National Nanotechnology Initiative (NNI).



Thursday, June 19, 2003

  8:00am Registration/Reception
  8:50am Welcome: Glenn Schrader, NSF, Program Manager, Kinetics, Catalysis and Molecular Processes; Esin Gulari, NSF, Division Director, Chemical and Transport Systems; Art Ellis, NSF, Division Director, Chemistry
  9:00am "NNI: Overview of US Government Nanotechnology Research and Development" - Dr. Mihail Roco, NSF, Chair of US National Science and Technology Council's Subcommittee on Nanoscale Science, Engineering and Technology
  9:15am "Workshop Overview and Objectives" - Prof. Mark E. Davis, California Institute of Technology
  9:30am "Molecular Precursors to Catalytic Materials" - Prof. Don Tilley, University of California, Berkeley
  10:00am "Perspective on Assembly from Other Nanoscience and Engineering Initiatives" - Prof. Chad Mirkin, Northwestern University
  10:30am Break
  10:45am "Perspective on Catalysis and Assembly at the Nanoscale by Industry" - Dr. S. Mark Davis, ExxonMobil
  11:15am "Perspective on Heterogeneous Catalysis at the Nanoscale from Europe" - Prof. Robert Schlögl, Fritz Haber Institute
  11:45am "Perspective on the Use of Catalysis for the Assembly of Other Materials" - Prof. Henry Foley, Pennsylvania State University
  12:15pm Lunch
  1:15pm "Perspective on Characterization Methods for Nanoscale Catalysts" - Prof. Raul Lobo, University of Delaware
  1:45pm "Perspective on Computation and Modeling in Catalysis" - Prof. Matt Neurock, University of Virginia
  2:15pm Open Session: ten-minute presentations by Abhaya Datye, Mark E. Davis, Michael Deem, David Dixon, Richard Finke, Robert Hicks, Harold Kung, Thomas Mallouk, Edmond Payen, Susannah Scott, Lawrence Sita, Steven Suib and Bernhardt Trout
  3:30pm Break
  3:45pm Open Session continued
  5:30pm Adjourn

Friday, June 20, 2003

  9:00am Discussion on Workshop Report Structure and Content/Major Topics
  10:15am Break
  10:30am Working Group Discussion: Preparation of initial summaries, draft outlines for research needs in each topical area for final report (break into sections)
  12:15pm Lunch
  1:15pm Workshop Wrap-Up: Assignments for completion of report and time for assigned groups to plan their schedule for submission of report documents
  3:00pm Adjourn


A list of participants with full contact information is available in pdf format.

  Michael Clarke National Science Foundation
  Katharine Covert National Science Foundation
  Abhaya Datye University of New Mexico
  Mark E. Davis California Institute of Technology
  S. Mark Davis ExxonMobil Research and Engineering Company
  Michael Deem Rice University
  David A. Dixon Pacific Northwest National Laboratory
  Arthur Ellis National Science Foundation
  Richard Finke Colorado State University
  Henry Foley Pennsylvania State University
  Esin Gulari National Science Foundation
  Suzanne Harris University of Wyoming
  Robert Hicks University of California, Los Angeles
  Jennifer Holmgren UOP
  Charles Kresge Dow Chemical Company
  Harold Kung Northwestern University
  Raul Lobo University of Delaware
  Thomas Mallouk Pennsylvania State University
  Patrick L. Mills DuPont Central Research and Development Experimental Station
  Raul Miranda Department of Energy
  Chad Mirkin Northwestern University
  Matthew Neurock University of Virginia
  Edmond Payen Laboratoire de Catalyse de Lille, France
  Geoffrey Prentice National Science Foundation
  Mihail Roco National Science Foundation
  Robert Schlögl Fritz-Haber-Institut der Max-Planck-Gesellschaft, Germany
  Glenn L. Schrader National Science Foundation
  Susannah Scott University of California, Santa Barbara
  Lawrence R. Sita University of Maryland
  Steven Suib University of Connecticut
  T. Don Tilley University of California, Berkeley
  Bernhardt Trout Massachusetts Institute of Technology
  Michael Tsapatsis University of Massachusetts, Amherst
  Stacey Zones ChevronTexaco Energy Research Center



Names of plenary speakers are in bold italics. Presentations are in pdf format and will
open in a separate window.

  Abhaya Datye Chad Mirkin
  Mark E. Davis (plenary) Matt Neurock
  Mark E. Davis Edmond Payen
  S. Mark Davis Mihail Roco
  Michael Deem Robert Schlögl
  David Dixon Glenn Schrader
  Richard Finke Susannah Scott
  Henry Foley Lawrence Sita
  Robert Hicks Steven Suib
  Harold Kung Don Tilley
  Raul Lobo Bernhardt Trout
  Tom Mallouk  
  Mallouk movie 1(,avi) Mallouk movie 2(.mpg)



Reports are in pdf format and will open in a separate window.

Executive Summary

Full Report

Notes from Working Group Discussions