Molecular views on mechanisms of Brønsted acid-catalyzed reactions in zeolites

C Chizallet, C Bouchy, K Larmier… - Chemical …, 2023 - ACS Publications
The Brønsted acidity of proton-exchanged zeolites has historically led to the most impactful
applications of these materials in heterogeneous catalysis, mainly in the fields of …

Light olefin synthesis from a diversity of renewable and fossil feedstocks: state-of the-art and outlook

SA Chernyak, M Corda, JP Dath… - Chemical Society …, 2022 - pubs.rsc.org
Light olefins are important feedstocks and platform molecules for the chemical industry.
Their synthesis has been a research priority in both academia and industry. There are many …

First-generation organic reaction intermediates in zeolite chemistry and catalysis

X Gong, M Caglayan, Y Ye, K Liu, J Gascon… - Chemical …, 2022 - ACS Publications
Zeolite chemistry and catalysis are expected to play a decisive role in the next decade (s) to
build a more decentralized renewable feedstock-dependent sustainable society owing to the …

Tuning the zeolite acidity enables selectivity control by suppressing ketene formation in lignin catalytic pyrolysis

Z Pan, A Puente-Urbina, SR Batool, A Bodi… - Nature …, 2023 - nature.com
Unveiling catalytic mechanisms at a molecular level aids rational catalyst design and
selectivity control for process optimization. In this study, we find that the Brønsted acid site …

Carbocation chemistry confined in zeolites: spectroscopic and theoretical characterizations

W Chen, X Yi, Z Liu, X Tang, A Zheng - Chemical Society Reviews, 2022 - pubs.rsc.org
Acid-catalyzed reactions inside zeolites are one type of broadly applied industrial reactions,
where carbocations are the most common intermediates of these reaction processes …

Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations

V Van Speybroeck, M Bocus, P Cnudde… - ACS …, 2023 - ACS Publications
Within this Perspective, we critically reflect on the role of first-principles molecular dynamics
(MD) simulations in unraveling the catalytic function within zeolites under operating …

Design of an Organic Template for Synthesizing ITR Zeolites under Ge-Free Conditions

Y Ma, J Hu, K Fan, W Chen, S Han, Q Wu… - Journal of the …, 2023 - ACS Publications
Germanosilicate zeolites with various structures have been extensively synthesized, but the
syntheses of corresponding zeolite structures in the absence of germanium species remain …

Evaluating the role of descriptor-and spectator-type reaction intermediates during the early phases of zeolite catalysis

X Gong, Y Ye, AD Chowdhury - ACS Catalysis, 2022 - ACS Publications
The philosophy of “Ikigai”─ a reason for being─ could be extended to rationalize the role of
organic reaction intermediates in zeolite catalysis. Each reaction intermediate's ikigai is …

Hollow Cu2O@CoMn2O4 Nanoreactors for Electrochemical NO Reduction to NH3: Elucidating the Void‐Confinement Effects on Intermediates

C Bai, S Fan, X Li, Z Niu, J Wang, Z Liu… - Advanced Functional …, 2022 - Wiley Online Library
Hollow nanoreactors show great potential in catalysis due to the void‐confinement effect.
Yet few studies have investigated the void‐confinement effect of hollow nanoreactors on …

Dynamic evolution of aluminum coordination environments in mordenite zeolite and their role in the dimethyl ether (DME) carbonylation reaction

R Liu, B Fan, Y Zhi, C Liu, S Xu, Z Yu… - Angewandte Chemie …, 2022 - Wiley Online Library
Part of tetrahedral framework aluminum in a protonic mordenite (HMOR) will convert
geometry to distorted tetrahedral and octahedral coordination. High‐field 27Al NMR data …