Early Transition Metal Oxides as Catalysts: Crossing Scales from Clusters to Single Crystals to Functioning Materials
The proportion of chemical industry processes using catalysts exceeds 80%. Current commercial heterogeneous catalysts are structurally and chemically complex and data gathered from them can seldom be interpreted with atomic-level precision. We seek to reduce the complexity of TMO catalysts to levels addressable and controllable at the atomic level, while maintaining intimate linkages with practical catalysis and catalytic materials. The focus of the proposed work is to gain a fundamental understanding of chemical transformations in order to design and construct new catalysts with more precise control of specific chemical reactions. We are employing an integrated experimental/theoretical approach to advance our current ability to understand, design, and control the catalytic and surface chemistry of transition metal oxides, specifically for redox and acid-base chemistries. The approach combines novel solid-state inorganic synthesis, surface science, experimental and theoretical/computational chemical physics, and mechanistic organic chemistry to address this complex and important challenge. Selected highlights from the results obtained in the last year are presented in the conference proceedings extended abstract.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 919983
- Report Number(s):
- PNNL-SA-54459; 19799; KC0302010; TRN: US200822%%491
- Resource Relation:
- Conference: Frontiers in Catalysis Science. Meeting of the Catalysis and Chemical Transformations Program Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, U.S. Department of Energy Rockville, MD May 23-26, 2004, 389-392
- Country of Publication:
- United States
- Language:
- English
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ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CATALYSIS
CATALYSTS
CHEMICAL REACTION KINETICS
DESIGN
MONOCRYSTALS
TRANSITION ELEMENT COMPOUNDS
OXIDES
SYNTHESIS
Atomic layer deposition
heteropoly acids
tungsten oxide
vanadium oxide
titanium oxide
butanol dehydration
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Environmental Molecular Sciences Laboratory