Catalytic Methane Dissociative Chemisorption over Pt(111): Surface Coverage Effects and Reaction Path Description
Density functional theory calculations were performed to study the dissociative chemisorption of methane over Pt(111) with the idea of finding the minimum energy path for the reaction and its dependence on surface coverage. Two approaches were used to evaluate this problem; first, we used different...
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| Format: | Others |
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ScholarWorks@UMass Amherst
2015
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| Online Access: | https://scholarworks.umass.edu/masters_theses_2/143 https://scholarworks.umass.edu/cgi/viewcontent.cgi?article=1179&context=masters_theses_2 |