B. Bridier, N. López, J. Pérez–Ramírez
Aug 31, 2010
Citations
1
Influential Citations
121
Citations
Quality indicators
Journal
Dalton transactions
Abstract
The gas-phase hydrogenation of propyne to propene was investigated over a series of heterogeneous catalysts based on Pd (in the absence and the presence of CO), Ni, Au, Cu, and Cu-Ni. Catalytic tests in a continuous flow micro-reactor at ambient pressure and density functional theory (DFT) calculations were combined to understand complex structure-selectivity-activity relationships and their dependence on key experimental variables such as H(2)/alkyne and CO/H(2) ratios. The wide scope of our work enables the identification of similarities and differences between these systems and paves the way to design more selective catalysts.