Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10244312 | Journal of Catalysis | 2012 | 10 Pages |
Abstract
⺠DFT-based mechanistic study on ring-opening of methylcyclopentane over Pt surfaces. ⺠Modeling large particles by flat Pt(1 1 1), defect-rich particles by stepped Pt(2 1 1). ⺠Selectivity is controlled by the height of the C-C scission barrier. ⺠On Pt(1 1 1), branched methylpentanes favored products, n-hexane formation impeded. ⺠At step edges of Pt(2 1 1), barrier for ring-opening to form n-hexane reduced.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Zhi-Jian Zhao, Lyudmila V. Moskaleva, Notker Rösch,