Thermodynamics Perspective on the Stepwise Conversion of Methane to Methanol over Cu-Exchanged SSZ-13

Bridging adsorption analytics and catalytic kinetics for metal-exchanged zeolites

(2021) Pengfei Xie et al.   Nature Catalysis

Paired copper monomers in zeolite omega: the active site for methane‐to‐methanol conversion

(2020) Amy Knorpp et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure–Activity Relationships That Identify Metal–Organic Framework Catalysts for Methane Activation

(2019) Andrew S. Rosen et al.   ACS Catalysis

Insights into the Speciation of Cu in the Cu-H-Mordenite Catalyst for the Oxidation of Methane to Methanol

(2019) Gordon Brezicki et al.   ACS Catalysis

Methane-to-Methanol: Activity Descriptors in Copper-exchanged Zeolites for the Rational Design of Materials

(2019) Vitaly L. Sushkevich et al.   ACS Catalysis

Misconceptions and challenges in methane-to-methanol over transition-metal-exchanged zeolites

(2019) Manoj Ravi et al.   Nature Catalysis

First-Principles Study of Oxidation State and Coordination of Cu-Dimers in Cu-SSZ-13 during Methane-to-Methanol Reaction Conditions

(2019) Unni Engedahl et al.   Journal of Physical Chemistry C

The Effect of the Active-Site Structure on the Activity of Copper Mordenite in the Aerobic and Anaerobic Conversion of Methane into Methanol

(2018) Vitaly L. Sushkevich et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical insights into direct methane to methanol conversion over supported dicopper oxo nanoclusters

(2018) Hieu A. Doan et al.   CATALYSIS TODAY

Evolution of active sites during selective oxidation of methane to methanol over Cu-CHA and Cu-MOR zeolites as monitored by operando XAS

(2018) Elisa Borfecchia et al.   CATALYSIS TODAY

Methane Partial Oxidation over [Cu2(μ-O)]2+ and [Cu3(μ-O)3]2+ Active Species in Large-Pore Zeolites

(2018) M. Haris Mahyuddin et al.   ACS Catalysis

Direct Methane to Methanol: The Selectivity–Conversion Limit and Design Strategies

(2018) Allegra A. Latimer et al.   ACS Catalysis

Dioxygen Activation on Cu-MOR Zeolite: Theoretical Insights into the Formation of Cu2O and Cu3O3 Active Species

(2018) M. Haris Mahyuddin et al.   INORGANIC CHEMISTRY

Evidence for Copper Dimers in Low-Loaded CuOx/SiO2 Catalysts for Cyclohexane Oxidative Dehydrogenation

(2018) Scott L. Nauert et al.   ACS Catalysis

Modeling Ammonia and Water Co-Adsorption in CuI-SSZ-13 Zeolite Using DFT Calculations

(2018) Hugo Petitjean et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

The Nuclearity of the Active Site for Methane to Methanol Conversion in Cu-Mordenite: A Quantitative Assessment

(2018) Dimitrios K. Pappas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On How Copper Mordenite Properties Govern the Framework Stability and Activity in the Methane-to-Methanol Conversion

(2018) Michael Dyballa et al.   ACS Catalysis

Developing a Thermodynamic Model for the Interactions between Water and Cu in the Zeolite SSZ-13

(2017) Florian Göltl et al.   Journal of Physical Chemistry C

Methane to Methanol: Structure–Activity Relationships for Cu-CHA

(2017) Dimitrios K. Pappas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Assessing the relative stability of copper oxide clusters as active sites of a CuMOR zeolite for methane to methanol conversion: size matters?

(2017) Dennis Palagin et al.   Nanoscale

Selective anaerobic oxidation of methane enables direct synthesis of methanol

(2017) Vitaly L. Sushkevich et al.   SCIENCE

Formation of [Cu2O2]2+ and [Cu2O]2+ toward C–H Bond Activation in Cu-SSZ-13 and Cu-SSZ-39

(2017) Bahar Ipek et al.   ACS Catalysis

Roles of Zeolite Confinement and Cu–O–Cu Angle on the Direct Conversion of Methane to Methanol by [Cu2(μ-O)]2+-Exchanged AEI, CHA, AFX, and MFI Zeolites

(2017) M. Haris Mahyuddin et al.   ACS Catalysis

Solid-State Ion-Exchanged Cu/Mordenite Catalysts for the Direct Conversion of Methane to Methanol

(2017) Ha V. Le et al.   ACS Catalysis

The impact of finite temperature on the coordination of Cu cations in the zeolite SSZ-13

(2016) Florian Göltl et al.   CATALYSIS TODAY

Catalytic conversion of methane to methanol on Cu-SSZ-13 using N2O as oxidant

(2016) B. Ipek et al.   CHEMICAL COMMUNICATIONS

Controlling the Isolation and Pairing of Aluminum in Chabazite Zeolites Using Mixtures of Organic and Inorganic Structure-Directing Agents

(2016) John R. Di Iorio et al.   CHEMISTRY OF MATERIALS

Synthesis of methanol from methane: Challenges and advances on the multi-step (syngas) and one-step routes (DMTM)

(2016) Marcio Jose da Silva   FUEL PROCESSING TECHNOLOGY

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

(2016) Guanna Li et al.   JOURNAL OF CATALYSIS

Catalysis in a Cage: Condition-Dependent Speciation and Dynamics of Exchanged Cu Cations in SSZ-13 Zeolites

(2016) Christopher Paolucci et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computationally Exploring Confinement Effects in the Methane-to-Methanol Conversion Over Iron-Oxo Centers in Zeolites

(2016) Florian Göltl et al.   ACS Catalysis

Direct Conversion of Methane to Methanol by Metal-Exchanged ZSM-5 Zeolite (Metal = Fe, Co, Ni, Cu)

(2016) M. Haris Mahyuddin et al.   ACS Catalysis

Monocopper Active Site for Partial Methane Oxidation in Cu-Exchanged 8MR Zeolites

(2016) Ambarish R. Kulkarni et al.   ACS Catalysis

Catalytic Oxidation of Methane into Methanol over Copper-Exchanged Zeolites with Oxygen at Low Temperature

(2016) Karthik Narsimhan et al.   ACS Central Science

Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper(II) Sites in Zeolites?

(2015) Florian Göltl et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Conversion of methane to methanol on copper-containing small-pore zeolites and zeotypes

(2015) M. J. Wulfers et al.   CHEMICAL COMMUNICATIONS

Recent advances in automotive catalysis for NOx emission control by small-pore microporous materials

(2015) A. M. Beale et al.   CHEMICAL SOCIETY REVIEWS

Spectroscopic Definition of the Copper Active Sites in Mordenite: Selective Methane Oxidation

(2015) Pieter Vanelderen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single-site trinuclear copper oxygen clusters in mordenite for selective conversion of methane to methanol

(2015) Sebastian Grundner et al.   Nature Communications

What Makes Copper-Exchanged SSZ-13 Zeolite Efficient at Cleaning Car Exhaust Gases?

(2013) Florian Göltl et al.   Journal of Physical Chemistry Letters

Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo cores

(2013) Shengfa Ye et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct Catalytic Conversion of Methane to Methanol in an Aqueous Medium by using Copper-Promoted Fe-ZSM-5

(2012) Ceri Hammond et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Two different cationic positions in Cu-SSZ-13?

(2012) Ja Hun Kwak et al.   CHEMICAL COMMUNICATIONS

Van der Waals interactions between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory

(2012) Florian Göltl et al.   JOURNAL OF CHEMICAL PHYSICS

Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. III. Energetics and vibrational spectroscopy of adsorbates

(2012) Florian Göltl et al.   JOURNAL OF CHEMICAL PHYSICS

Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. I. Structure and energetics

(2012) Florian Göltl et al.   JOURNAL OF CHEMICAL PHYSICS

Confirmation of Isolated Cu2+ Ions in SSZ-13 Zeolite as Active Sites in NH3-Selective Catalytic Reduction

(2012) Upakul Deka et al.   Journal of Physical Chemistry C

Alkane adsorption in Na-exchanged chabazite: The influence of dispersion forces

(2011) Florian Göltl et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation

(2011) L. C. Grabow et al.   ACS Catalysis

The tert-Butyl Cation in H-Zeolites: Deprotonation to Isobutene and Conversion into Surface Alkoxides

(2010) Christian Tuma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Oxidation of methane by a biological dicopper centre

(2010) Ramakrishnan Balasubramanian et al.   NATURE

Second-order Mo̸ller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

(2009) M. Marsman et al.   JOURNAL OF CHEMICAL PHYSICS

Copper Coordination in Cu-SSZ-13 and Cu-SSZ-16 Investigated by Variable-Temperature XRD

(2009) Dustin W. Fickel et al.   Journal of Physical Chemistry C

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

A [Cu2O]2+core in Cu-ZSM-5, the active site in the oxidation of methane to methanol

(2009) Julia S. Woertink et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory

(2008) Judith Harl et al.   PHYSICAL REVIEW B