First-Principles Comparison of Proton and Divalent Copper Cation Exchange Energy Landscapes in SSZ-13 Zeolite-Reference-Cited by-同舟云学术

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First-Principles Comparison of Proton and Divalent Copper Cation Exchange Energy Landscapes in SSZ-13 Zeolite

Published:2018-09-24 Issue:41 Volume:122 Page:23564-23573
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Li Sichi¹^ORCID,Li Hui¹^ORCID,Gounder Rajamani²^ORCID,Debellis Anthony³,Müller Imke B.⁴,Prasad Subramanian⁵,Moini Ahmad⁵,Schneider William F.¹^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, United States

2. Charles D. Davidson School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47907, United States

3. Quantum Chemistry and Hybrid Modeling Research, BASF Corporation, Tarrytown, New York 10591, United States

4. Quantum Chemistry, BASF SE, Ludwigshafen 67056, Germany

5. BASF Corporation, 25 Middlesex Essex Turnpike, Iselin, New Jersey 08830, United States

Funder

BASF Corporation

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b07213

Reference62 articles.

1. Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research

2. Aluminum Siting in Silicon-Rich Zeolite Frameworks: A Combined High-Resolution27Al NMR Spectroscopy and Quantum Mechanics / Molecular Mechanics Study of ZSM-5

3. ZSM-5 Zeolite: Complete Al Bond Connectivity and Implications on Structure Formation from Solid-State NMR and Quantum Chemistry Calculations

4. Distribution of Aluminum over the Tetrahedral Sites in ZSM-5 Zeolites and Their Evolution after Steam Treatment

5. Control of the Al Distribution in the Framework of ZSM-5 Zeolite and Its Evaluation by Solid-State NMR Technique and Catalytic Properties

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1. Impact of sulfur exposure on high-temperature Cu speciation in SSZ-13 Zeolites;Applied Catalysis B: Environment and Energy;2024-12

2. Thermodynamics and kinetics of interconversion between platinum nanoparticles and cations in zeolites;Journal of Catalysis;2024-06

3. Spatial Distribution of Brønsted Acid Sites Determines the Mobility of Reactive Cu Ions in the Cu-SSZ-13 Catalyst during the Selective Catalytic Reduction of NO_x with NH₃;Journal of the American Chemical Society;2024-04-10

4. Effect of H₂O and CO on the NO Operating Cycle in Pd/CHA Passive NO_x Adsorbers;The Journal of Physical Chemistry C;2024-02-08

5. Unexpected Promotion Effect of H₂O on the Selective Catalytic Reduction of NO_x with NH₃ over Cu-SSZ-39 Catalysts;Environmental Science & Technology;2024-02-05

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