Advances in theory and their application within the field of zeolite chemistry

V Van Speybroeck, K Hemelsoet, L Joos… - Chemical Society …, 2015 - pubs.rsc.org
Zeolites are versatile and fascinating materials which are vital for a wide range of industries,
due to their unique structural and chemical properties, which are the basis of applications in …

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 …

Catalysis science of NOx selective catalytic reduction with ammonia over Cu-SSZ-13 and Cu-SAPO-34

C Paolucci, JR Di Iorio, FH Ribeiro, R Gounder… - Advances in …, 2016 - Elsevier
Copper-exchanged, small-pore chabazite (CHA) zeolites were commercialized in 2009 for
the selective catalytic reduction (SCR) of NO x compounds with ammonia, as an emissions …

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 …

[HTML][HTML] The future of computational catalysis

J Sauer - Journal of Catalysis, 2024 - Elsevier
The future of computational heterogeneous catalysis is shaped by machine learning in two
different but equally important areas:(i) development of atomistic potentials that closely …

Infrared spectroscopy of transient surface species

C Lamberti, E Groppo, G Spoto, S Bordiga… - Advances in …, 2007 - Elsevier
A full understanding of a catalytic reaction requires a thorough identification of precursor and
intermediate species. In this regard spectroscopies, in general, and infrared (IR) …

Roles of water molecules in modulating the reactivity of dioxygen-bound Cu-ZSM-5 toward methane: a theoretical prediction

T Yumura, Y Hirose, T Wakasugi, Y Kuroda… - ACS …, 2016 - ACS Publications
We propose theoretically that the reactivity of O2-bound Cu-ZSM-5 toward methane is
enhanced by the presence of one water molecule near a dinuclear copper site inside a 10 …

Active sites and mechanism of the direct conversion of methane and carbon dioxide to acetic acid over the zinc-modified H-ZSM-5 zeolite

P Zhang, X Yang, X Hou, J Mi, Z Yuan… - Catalysis Science & …, 2019 - pubs.rsc.org
Conversion of CH4 and CO2 to higher value chemicals will contribute to alleviating green-
house gas emissions and the global fossil fuel shortage. Introducing metals into zeolites is …

Hydrogen-Bond-Assisted Adsorption of Nitric Oxide on Various Metal-Loaded ZSM-5 Zeolites

TM Ismail, KP Prasanthkumar, C Ebenezer, BA Anjali… - Langmuir, 2022 - ACS Publications
Understanding the characteristics of nitric oxide (NO) adsorption on metal-loaded zeolites is
a prerequisite for developing efficient catalysts for NO abatement reactions. In this study, we …