Fundamentals of Surface Reactivity from Ab Initio Modeling
- Conference: AIChE Annual Meeting
- Year: 2005
- Proceeding: 2005 Annual Meeting
- Type: Oral
- Location: Cincinnati Convention Center
- Time: Wednesday, November 2, 2005 - 12:30pm-3:00pm
The development of novel ab initio methodologies has dramatically increased our ability to tackle complex problems in surface chemistry and material science. This session will focus on the recent developments in the area of ab initio approach to surface reactivity. Particular emphasis will be on the surface reactivity of fuel cell electrode materials and nano-catalysts.
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