Theory of the dissociation dynamics of small molecules on metal surfaces. Technical progress report, July 1, 1993--June 30, 1994
The objective is to develop realistic theoretical models for molecule-metal interactions important in catalysis. The dissociative adsorption of diatomics on metals, Eley-Rideal mechanisms for recombinative desorption, and sticking on surfaces have all been examined. Efficient time dependent quantum scattering techniques have been developed to treat the molecular degrees of freedom and the thermal vibrations of the solid.
- Research Organization:
- Massachusetts Univ., Amherst, MA (United States). Dept. of Chemistry
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG02-87ER13744
- OSTI ID:
- 10140315
- Report Number(s):
- DOE/ER/13744-T2; ON: DE94009401; TRN: 94:004493
- Resource Relation:
- Other Information: PBD: [1994]
- Country of Publication:
- United States
- Language:
- English
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