Opportunities for Catalysis in the 21st Century

上一篇 / 下一篇  2011-03-20 21:15:21

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Opportunities for Catalysis in the 21st Century

Contents
Executive Summary...........................................................................................  v
A Grand Challenge.......................................................................................................   v
The Present Opportunity ..............................................................................................   v
The Importance of Catalysis Science to DOE..............................................................   vi
A Recommendation for Increased Federal Investment in Catalysis Research.............   vi
I.  Introduction................................................................................................  1
A.  Background, Structure, and Organization of the Workshop ..................................   1
B.  Recent Advances in Experimental and Theoretical Methods ................................   1
C.  The Grand Challenge .............................................................................................   2
D.  Enabling Approaches for Progress in Catalysis .....................................................   3
E.  Consensus Observations and Recommendations ...................................................   3
F.  Opportunities for an Expanded Role for the Department of Energy......................   4
G.  Summary of Specific Challenges and Opportunities .............................................   4
II.  Opportunities for Scientific Advances ......................................................  5
A.  Catalysis and Nanoscience.....................................................................................   6
  Nanostructured Catalysts: Catalysis by Gold Nanostructures .............................   7
B.  Molecular Catalysis on Surfaces: Merging Homogeneous  
and Heterogeneous Catalysis .................................................................................   9
C.  Biocatalysis ............................................................................................................   11
Industrial Biocatalysts: Some Examples .............................................................   11
1.  New Enzymes for Biocatalysis ........................................................................   12
2.  Biocatalyst Optimization through Evolution  ..................................................   12
Artificial Enzymes ...............................................................................................   13
3.  Integration of Biological and Chemical Catalysis ...........................................   13
D. Tools for Advancing Catalysis Science in the 21st Century...................................   14
1.  Synthesis and Characterization ........................................................................   14
New Catalysts for Improved Polyolefins..............................................................   17
2.  Theory and Modeling ......................................................................................   20
Computational Chemistry ...................................................................................   21
3.  Dynamics and Kinetics ....................................................................................   



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