New advances in the use of infrared absorption spectroscopy for the characterization of heterogeneous catalytic reactions

F Zaera - Chemical Society Reviews, 2014 - pubs.rsc.org
Infrared absorption spectroscopy has proven to be one of the most powerful spectroscopic
techniques available for the characterization of catalytic systems. Although the history of IR …

Structure and surface chemistry of gold-based model catalysts

J Gong - Chemical reviews, 2012 - ACS Publications
Gold ([Xe] 4f 14 5d 10 6s 1) is one of the most ancient themes of investigation in science and
arts, and its renaissance now leads to an exponentially increasing number of publications …

The promotional effect of gold in catalysis by palladium-gold

M Chen, D Kumar, CW Yi, DW Goodman - Science, 2005 - science.org
Acetoxylation of ethylene to vinyl acetate (VA) was used to investigate the mechanism of the
promotional effect of gold (Au) in a palladium (Pd)-Au alloy catalyst. The enhanced rates of …

Interstitial carbon dopant in palladium–gold alloy boosting the catalytic performance in vinyl acetate monomer synthesis

Y Nakaya, E Hayashida, R Shi, K Shimizu… - Journal of the …, 2023 - ACS Publications
Vinyl acetate monomer (VAM), an important chemical intermediate in industry, is produced
by the well-established commercial process of acetoxylation of ethylene with Pd–Au/SiO2 …

The nature of the active site for vinyl acetate synthesis over Pd–Au

MS Chen, K Luo, T Wei, Z Yan, D Kumar, CW Yi… - Catalysis today, 2006 - Elsevier
The surface composition of a Pd–Au alloy was determined using low energy ion scattering
spectroscopy (LEISS). A stable surface composition was found between 700 and 1000K with …

[HTML][HTML] Perspective: On the active site model in computational catalyst screening

K Reuter, CP Plaisance, H Oberhofer… - The Journal of Chemical …, 2017 - pubs.aip.org
First-principles screening approaches exploiting energy trends in surface adsorption
represent an unparalleled success story in recent computational catalysis research. Here we …

Formation of C–C and C–O bonds and oxygen removal in reactions of alkanediols, alkanols, and alkanals on copper catalysts

ME Sad, M Neurock, E Iglesia - Journal of the American Chemical …, 2011 - ACS Publications
This study reports evidence for catalytic deoxygenation of alkanols, alkanals, and
alkanediols on dispersed Cu clusters with minimal use of external H2 and with the …

Coverage effects on the palladium-catalyzed synthesis of vinyl acetate: comparison between theory and experiment

F Calaza, D Stacchiola, M Neurock… - Journal of the American …, 2010 - ACS Publications
The high adsorbate coverages that form on the surfaces of many heterogeneous catalysts
under steady-state conditions can significantly lower the activation energies for reactions …

Promotional Role of Acid Sites on Aluminosilicate-Supported PdAu for Vinyl Acetate Synthesis

HP Jacobs, WC Elias, KN Heck, DP Dean… - ACS …, 2023 - ACS Publications
PdAu catalysts supported on both pure silica and aluminosilicates and promoted with KOAc
are the most active and selective compositions for the industrial-scale acetoxylation of …

Ethylene conversion to ethylidyne over Pd (111): revisiting the mechanism with first-principles calculations

LV Moskaleva, ZX Chen, HA Aleksandrov… - The Journal of …, 2009 - ACS Publications
On Pd (111), thermal activation of ethylene has been reported to yield ethylidyne. Using
more approximate models, a plausible three-step mechanism, ethylene→ vinyl→ …