Periodic regularities in bonding, coordination modes and reactivity of sulfur oxides on transition metal surfaces: Combined BOC-MP and ab initio results
Conference
·
OSTI ID:126243
- Blue Planet Technologies Co., New York, NY (United States)
- South Dakota State Univ., Brookings, SD (United States)
A combination of theoretical methods (BOC-MP and high quality ab initio calculations) has been employed to understand the nature of bonding, coordination modes and reactivity of sulfur oxides on metal fcc (111), (100), (110) surfaces along the periodic series Cu, Pt, Pd and Ni. The emphasis was on the molecular chemisorption of SO{sub 2} and its dissociative pathways: S + 20 <--- SO + O <--- SO{sub 2} --- > SO{sub 3} --- > SO{sub 4}. M
- OSTI ID:
- 126243
- Report Number(s):
- CONF-950402--
- Country of Publication:
- United States
- Language:
- English
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