Reactivity of surface species in heterogeneous catalysts probed by in situ X-ray absorption techniques

S Bordiga, E Groppo, G Agostini… - Chemical …, 2013 - ACS Publications
Starting from the late seventies, the progressively increased availability of synchrotron light
sources allowed the execution of experiments requiring a high X-ray flux in a continuous …

Probing the surfaces of heterogeneous catalysts by in situ IR spectroscopy

C Lamberti, A Zecchina, E Groppo… - Chemical Society …, 2010 - pubs.rsc.org
This critical review describes the reactivity of heterogeneous catalysts from the point of view
of four simple, but essential for Chemistry, molecules (namely dihydrogen, carbon …

Stability and reactivity of copper oxo-clusters in ZSM-5 zeolite for selective methane oxidation to methanol

G Li, P Vassilev, M Sanchez-Sanchez, JA Lercher… - Journal of catalysis, 2016 - Elsevier
A periodic density functional theory study complemented by ab initio thermodynamic
analysis was carried out to identify the active sites and mechanism of selective oxidation of …

Coordination chemistry and reactivity of copper in zeolites

P Vanelderen, J Vancauwenbergh, BF Sels… - Coordination Chemistry …, 2013 - Elsevier
Cu-zeolites are highly promising heterogeneous catalysts for a variety of chemical reactions.
Knowledge of the location and coordination of copper in the zeolite lattice is key to fully …

Cu-ZSM-5: A biomimetic inorganic model for methane oxidation

P Vanelderen, RG Hadt, PJ Smeets, EI Solomon… - Journal of catalysis, 2011 - Elsevier
The present work highlights recent advances in elucidating the methane oxidation
mechanism of the inorganic Cu-ZSM-5 biomimic and in identifying the reactive intermediates …

Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems

J Sauer, M Sierka - Journal of Computational Chemistry, 2000 - Wiley Online Library
The errors made when large chemical systems are replaced by small models are discussed:
interrupted charge transfer, missing structure constraints, neglected long‐range interactions …

[Cu2O]2+ Active Site Formation in Cu–ZSM-5: Geometric and Electronic Structure Requirements for N2O Activation

ML Tsai, RG Hadt, P Vanelderen, BF Sels… - Journal of the …, 2014 - ACS Publications
Understanding the formation mechanism of the [Cu2O] 2+ active site in Cu–ZSM-5 is
important for the design of efficient catalysts to selectively convert methane to methanol and …

Transition-metal ions in zeolites: coordination and activation of oxygen

PJ Smeets, JS Woertink, BF Sels, EI Solomon… - Inorganic …, 2010 - ACS Publications
Zeolites containing transition-metal ions (TMIs) often show promising activity as
heterogeneous catalysts in pollution abatement and selective oxidation reactions. In this …

Thermal Reduction of Cu2+−Mordenite and Re-oxidation upon Interaction with H2O, O2, and NO

FX Llabrés i Xamena, P Fisicaro, G Berlier… - The Journal of …, 2003 - ACS Publications
We present a multitechnique (EPR, XANES, EXAFS, and IR of adsorbed NO) study of the
coordination and oxidation chemistry of copper species hosted in mordenite (MOR) zeolite …

Spectroscopy and redox chemistry of copper in mordenite

P Vanelderen, J Vancauwenbergh, ML Tsai… - …, 2014 - Wiley Online Library
Copper‐containing zeolites, such as mordenite (MOR), have recently gained increased
attention as a consequence of their catalytic potential. While the preferred copper loadings …