Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Dioxygen Activation Kinetics over Distinct Cu Site Types in Cu-Chabazite Zeolites

Journal Article · · ACS Catal.
; ; ; ; ;

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
DOE Contract Number:
SC0019026; SC0020224; AC02-06CH11357; CBET-1942015
OSTI ID:
1828935
Journal Information:
ACS Catal., Vol. 11, Issue (19)
Country of Publication:
United States
Language:
ENGLISH

References (52)

Selective Oxidation of Methane by the Bis(μ-oxo)dicopper Core Stabilized on ZSM-5 and Mordenite Zeolites February 2005
Mesoporous SSZ-13 zeolite prepared by a dual-template method with improved performance in the methanol-to-olefins reaction February 2013
Catalytic Oxidation of Methane into Methanol over Copper-Exchanged Zeolites with Oxygen at Low Temperature April 2016
Projector augmented-wave method December 1994
Catalytic behavior and structure of active species on Cu-Y zeolite in oxidation of carbon monoxide May 1990
Spectroscopic and kinetic responses of Cu-SSZ-13 to SO2 exposure and implications for NOx selective catalytic reduction March 2019
Revisiting copper reduction in zeolites: the impact of autoreduction and sample synthesis procedure January 2018
Formation of [Cu 2 O 2 ] 2+ and [Cu 2 O] 2+ toward C–H Bond Activation in Cu-SSZ-13 and Cu-SSZ-39 May 2017
Combining Kinetics and Operando Spectroscopy to Interrogate the Mechanism and Active Site Requirements of NO x Selective Catalytic Reduction with NH 3 on Cu-Zeolites June 2020
A comparative test of different density functionals for calculations of NH 3 -SCR over Cu-Chabazite January 2019
Spectroscopic Definition of a Highly Reactive Site in Cu-CHA for Selective Methane Oxidation: Tuning a Mono-μ-Oxo Dicopper(II) Active Site for Reactivity May 2021
The Effect of the Active-Site Structure on the Activity of Copper Mordenite in the Aerobic and Anaerobic Conversion of Methane into Methanol June 2018
Catalysis in a Cage: Condition-Dependent Speciation and Dynamics of Exchanged Cu Cations in SSZ-13 Zeolites April 2016
Evolution of active sites during selective oxidation of methane to methanol over Cu-CHA and Cu-MOR zeolites as monitored by operando XAS August 2019
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set October 1996
Continuous Partial Oxidation of Methane to Methanol Catalyzed by Diffusion-Paired Copper Dimers in Copper-Exchanged Zeolites June 2019
Single-site trinuclear copper oxygen clusters in mordenite for selective conversion of methane to methanol June 2015
Active sites and mechanisms in the direct conversion of methane to methanol using Cu in zeolitic hosts: a critical examination January 2020
CO adsorption complexes in zeolites: How does the inclusion of dispersion interactions affect predictions made from DFT calculations? The case of Na-CHA July 2015
Bis(μ-oxo)dicopper in Cu-ZSM-5 and Its Role in the Decomposition of NO:  A Combined in Situ XAFS, UV−Vis−Near-IR, and Kinetic Study June 2003
Effects of dioxygen pressure on rates of NOx selective catalytic reduction with NH3 on Cu-CHA zeolites September 2020
Multivariate curve resolution–alternating least squares (MCR-ALS) applied to spectroscopic data from monitoring chemical reactions processes March 2008
Consequences of exchange-site heterogeneity and dynamics on the UV-visible spectrum of Cu-exchanged SSZ-13 January 2019
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu April 2010
High-throughput computation and evaluation of raman spectra July 2019
Effect of the damping function in dispersion corrected density functional theory March 2011
Cu-ZSM-5: A biomimetic inorganic model for methane oxidation December 2011
Direct Conversion of Methane to Methanol under Mild Conditions over Cu-Zeolites and beyond January 2017
Stability and reactivity of copper oxo-clusters in ZSM-5 zeolite for selective methane oxidation to methanol June 2016
Bis(μ-oxo) versus mono(μ-oxo)dicopper cores in a zeolite for converting methane to methanol: an in situ XAS and DFT investigation January 2015
The Nuclearity of the Active Site for Methane to Methanol Conversion in Cu-Mordenite: A Quantitative Assessment October 2018
Dynamic multinuclear sites formed by mobilized copper ions in NO x selective catalytic reduction August 2017
A [Cu 2 O] 2+ core in Cu-ZSM-5, the active site in the oxidation of methane to methanol October 2009
Viewpoint on the Partial Oxidation of Methane to Methanol Using Cu- and Fe-Exchanged Zeolites August 2018
Methane to methanol over copper mordenite: yield improvement through multiple cycles and different synthesis techniques January 2016
Spectroscopic and chemical characterization of active and inactive Cu species in NO decomposition catalysts based on Cu-ZSM5 January 2002
Spectroscopic Definition of the Copper Active Sites in Mordenite: Selective Methane Oxidation May 2015
Cu-CHA – a model system for applied selective redox catalysis January 2018
Methane to Methanol: Structure–Activity Relationships for Cu-CHA October 2017
Selective anaerobic oxidation of methane enables direct synthesis of methanol May 2017
NO Chemisorption on Cu/SSZ-13: A Comparative Study from Infrared Spectroscopy and DFT Calculations October 2014
Synthesis of single-site copper catalysts for methane partial oxidation January 2016
Insights into the Speciation of Cu in the Cu-H-Mordenite Catalyst for the Oxidation of Methane to Methanol April 2019
Synthesis and structure of zeolite ZSM-5: a Raman spectroscopic study July 1987
Water Is the Oxygen Source for Methanol Produced in Partial Oxidation of Methane in a Flow Reactor over Cu-SSZ-13 June 2020
Paired Copper Monomers in Zeolite Omega: The Active Site for Methane‐to‐Methanol Conversion February 2021
Themed Issue on characterization of adsorbed species January 2010
Synthesis–Structure–Activity Relations in Fe-CHA for C–H Activation: Control of Al Distribution by Interzeolite Conversion November 2019
In Situ Methods for Identifying Reactive Surface Intermediates during Hydrogenolysis Reactions: C–O Bond Cleavage on Nanoparticles of Nickel and Nickel Phosphides September 2019
Controlling the Isolation and Pairing of Aluminum in Chabazite Zeolites Using Mixtures of Organic and Inorganic Structure-Directing Agents March 2016
Conversion of faujasites to high-silica chabazite SSZ-13 in the presence of N,N,N-trimethyl-1-adamantammonium iodide January 1991
Roles of Water Molecules in Modulating the Reactivity of Dioxygen-Bound Cu-ZSM-5 toward Methane: A Theoretical Prediction March 2016

Similar Records

Related Subjects