Molecular Routes of Dynamic Autocatalysis for Methanol-to-Hydrocarbons Reaction

Molecular elucidating of an unusual growth mechanism for polycyclic aromatic hydrocarbons in confined space

(2020) Nan Wang et al.   Nature Communications

Spontaneous formation of autocatalytic sets with self-replicating inorganic metal oxide clusters

(2020) Haralampos N. Miras et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Methylcyclopentenyl Cations Linking Initial Stage and Highly Efficient Stage in Methanol-to-Hydrocarbon Process

(2020) Wenna Zhang et al.   ACS Catalysis

Chance emergence of catalytic activity and promiscuity in a self-replicator

(2020) Jim Ottelé et al.   Nature Catalysis

Insight into the Dual Cycle Mechanism of Methanol-to-Olefins Reaction over SAPO-34 Molecular Sieve by Isotopic Tracer Studies

(2020) Bowen Yu et al.   CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

Role of Acetaldehyde in the Roadmap from Initial Carbon–Carbon Bonds to Hydrocarbons during Methanol Conversion

(2019) Liu Yang et al.   ACS Catalysis

Methanol to Olefins Reaction Route Based on Methylcyclopentadienes as Critical Intermediates

(2019) Wenna Zhang et al.   ACS Catalysis

Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 Seen by Synchrotron Infrared Microspectroscopy

(2019) Ivalina B. Minova et al.   ACS Catalysis

Presituated “coke”-determined mechanistic route for ethene formation in the methanol-to-olefins process on SAPO-34 catalyst

(2019) Jibin Zhou et al.   JOURNAL OF CATALYSIS

Confined microenvironment for catalysis control

(2019) Qiang Fu et al.   Nature Catalysis

Autocatalytic Models for the Origin of Biological Homochirality

(2019) Donna G. Blackmond   CHEMICAL REVIEWS

Extra-Framework Aluminum-Assisted Initial C−C Bond Formation in Methanol-to-Olefins Conversion on Zeolite H-ZSM-5

(2018) Chao Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Brønsted/Lewis acid sites synergistically promote the initial C–C bond formation in the MTO reaction

(2018) Yueying Chu et al.   Chemical Science

Evolution of C–C Bond Formation in the Methanol-to-Olefins Process: From Direct Coupling to Autocatalysis

(2018) Xinqiang Wu et al.   ACS Catalysis

Methanol to Olefins Reaction over Cavity-type Zeolite: Cavity Controls the Critical Intermediates and Product Selectivity

(2018) Wenna Zhang et al.   ACS Catalysis

Catalytic conversion of biomass-derivates by in situ DRIFTS: Evolution of coke

(2017) Shanshan Shao et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Influence of the Reaction Temperature on the Nature of the Active and Deactivating Species During Methanol-to-Olefins Conversion over H-SAPO-34

(2017) E. Borodina et al.   ACS Catalysis

Insights into the Activity and Deactivation of the Methanol-to-Olefins Process over Different Small-Pore Zeolites As Studied with Operando UV–vis Spectroscopy

(2017) Joris Goetze et al.   ACS Catalysis

New insights into catalyst deactivation and product distribution of zeolites in the methanol-to-hydrocarbons (MTH) reaction with methanol and dimethyl ether feeds

(2017) Juan S. Martinez-Espin et al.   Catalysis Science & Technology

Direct Detection of Supramolecular Reaction Centers in the Methanol-to-Olefins Conversion over Zeolite H-ZSM-5 by 13 C-27 Al Solid-State NMR Spectroscopy

(2016) Chao Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Initial Carbon-Carbon Bond Formation during the Early Stages of the Methanol-to-Olefin Process Proven by Zeolite-Trapped Acetate and Methyl Acetate

(2016) Abhishek Dutta Chowdhury et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Formation Mechanism of the First Carbon-Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons

(2016) Yue Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Methanol to hydrocarbons reaction over Hβ zeolites studied by high resolution solid-state NMR spectroscopy: Carbenium ions formation and reaction mechanism

(2016) Mozhi Zhang et al.   JOURNAL OF CATALYSIS

Enzymatic reactions in confined environments

(2016) Andreas Küchler et al.   Nature Nanotechnology

Insight into the Effect of Water on the Methanol-to-Olefins Conversion in H-SAPO-34 from Molecular Simulations and in Situ Microspectroscopy

(2016) Kristof De Wispelaere et al.   ACS Catalysis

MEPSA: minimum energy pathway analysis for energy landscapes: Fig. 1.

(2015) Iñigo Marcos-Alcalde et al.   BIOINFORMATICS

Experimental Evidence on the Formation of Ethene through Carbocations in Methanol Conversion over H-ZSM-5 Zeolite

(2015) Chao Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanistic studies of methanol-to-hydrocarbons conversion on diffusion-free MFI samples

(2015) Rachit Khare et al.   JOURNAL OF CATALYSIS

Dehydration Pathways of 1-Propanol on HZSM-5 in the Presence and Absence of Water

(2015) Yuchun Zhi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Pore and Cage Size on the Formation of Aromatic Intermediates During the Methanol-to-Olefins Reaction

(2015) Mark A. Deimund et al.   TOPICS IN CATALYSIS

Cooperativity between Al Sites Promotes Hydrogen Transfer and Carbon–Carbon Bond Formation upon Dimethyl Ether Activation on Alumina

(2015) Aleix Comas-Vives et al.   ACS Central Science

Structural Isomerization of the Gas-Phase 2-Norbornyl Cation Revealed with Infrared Spectroscopy and Computational Chemistry

(2014) Jonathan D. Mosley et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Insight into the Formation and Reactivity of Framework-Bound Methoxide Species in H-ZSM-5 from Static and Dynamic Molecular Simulations

(2014) Jeroen Van der Mynsbrugge et al.   ChemCatChem

New Insight into the Hydrocarbon-Pool Chemistry of the Methanol-to-Olefins Conversion over Zeolite H-ZSM-5 from GC-MS, Solid-State NMR Spectroscopy, and DFT Calculations

(2014) Chao Wang  et al.   CHEMISTRY-A EUROPEAN JOURNAL

A route to form initial hydrocarbon pool species in methanol conversion to olefins over zeolites

(2014) Junfen Li et al.   JOURNAL OF CATALYSIS

On reaction pathways in the conversion of methanol to hydrocarbons on HZSM-5

(2014) Xianyong Sun et al.   JOURNAL OF CATALYSIS

Direct Observation of Cyclic Carbenium Ions and Their Role in the Catalytic Cycle of the Methanol-to-Olefin Reaction over Chabazite Zeolites

(2013) Shutao Xu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanisms of Autocatalysis

(2013) Andrew J. Bissette et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The catalytic diversity of zeolites: confinement and solvation effects within voids of molecular dimensions

(2013) Rajamani Gounder et al.   CHEMICAL COMMUNICATIONS

Broadband homonuclear correlation spectroscopy driven by combined R2nv sequences under fast magic angle spinning for NMR structural analysis of organic and biological solids

(2013) Guangjin Hou et al.   JOURNAL OF MAGNETIC RESONANCE

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity

(2012) Unni Olsbye et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rates and equilibria of ester hydrolysis: Combination of slow and rapid reactions

(2011) Olatunde Jogunola et al.   CHEMICAL ENGINEERING AND PROCESSING

Observation of Heptamethylbenzenium Cation over SAPO-Type Molecular Sieve DNL-6 under Real MTO Conversion Conditions

(2011) Jinzhe Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Shape Selectivity in the Conversion of Methanol to Hydrocarbons: The Catalytic Performance of One-Dimensional 10-Ring Zeolites: ZSM-22, ZSM-23, ZSM-48, and EU-1

(2011) Shewangizaw Teketel et al.   ACS Catalysis

Metadynamics

(2011) Alessandro Barducci et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Methanol to hydrocarbons over large cavity zeolites: Toward a unified description of catalyst deactivation and the reaction mechanism

(2010) Morten Bjørgen et al.   JOURNAL OF CATALYSIS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Selectivity control through fundamental mechanistic insight in the conversion of methanol to hydrocarbons over zeolites

(2010) Shewangizaw Teketel et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Conversion of methanol over 10-ring zeolites with differing volumes at channel intersections: comparison of TNU-9, IM-5, ZSM-11 and ZSM-5

(2010) Francesca Bleken et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Autocatalysis in biological systems

(2009) Chetan J. Gadgil et al.   AICHE JOURNAL

The mechanisms of ethene and propene formation from methanol over high silica H-ZSM-5 and H-beta

(2009) Morten Bjørgen et al.   CATALYSIS TODAY

Product shape selectivity dominates the Methanol-to-Olefins (MTO) reaction over H-SAPO-34 catalysts

(2009) Bart P.C. Hereijgers et al.   JOURNAL OF CATALYSIS

Enhanced In situ Continuous-Flow MAS NMR for Reaction Kinetics in the Nanocages

(2009) Shutao Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reactivity of Surface Alkoxy Species on Acidic Zeolite Catalysts

(2008) Wei Wang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Space- and Time-Resolved In-situ Spectroscopy on the Coke Formation in Molecular Sieves: Methanol-to-Olefin Conversion over H-ZSM-5 and H-SAPO-34

(2008) Davide Mores et al.   CHEMISTRY-A EUROPEAN JOURNAL

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS