Jump to Main Content
- Chen, De, et al. Show all 3 Authors
- The Journal of Physical Chemistry C 2017 v.121 no.38 pp. 20802-20812
- adsorption; carbon; carbon monoxide poisoning; catalysts; catalytic activity; energy; oxidation; oxygen; platinum
- ... When using support materials in heterogeneous catalysis, a fundamental understanding of the interactions between the catalyst and the support material is of critical importance. In this work, the stability, electronic structure, and catalytic activity of single-atom Pt catalysts on oxidized carbon support materials are investigated using first-principles calculations. The results are discussed bas ...
- Chen, De, et al. Show all 7 Authors
- Journal of catalysis 2017 v.349 pp. 110-117
- Fischer-Tropsch reaction; activation energy; adsorption; carbon; catalysts; cobalt; density functional theory; ethylene; hydrogenation; olefin; van der Waals forces
- ... The factor dominating olefin to paraffin ratio in cobalt-catalyzed Fischer-Tropsch synthesis has been identified via experimental kinetic studies and theoretical calculations including the van der Waals interaction between the adsorbates and Co surfaces. The olefin to paraffin ratio for each carbon number is expressed as a function of adsorption energies of olefin and activation energies of hydrog ...