Selective catalytic reduction of NO over Cu-AFX zeolites: mechanistic insights from in situ/operando spectroscopic and DFT studies

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Catal. Sci. Technol., 2021, 11, 4459
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Influence of near-surface oxide layers on TiFe hydrogenation: mechanistic insights and implications for hydrogen storage applications

Archa Santhosh, ShinYoung Kang, Nathan Keilbart, Brandon C. Wood, Thomas Klassen, Paul Jerabek and Martin Dornheim

J. Mater. Chem. A, 2023, 11, 18776
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Selective catalytic reduction of NO with NH3 over Cu-exchanged CHA, GME, and AFX zeolites: a density functional theory study

Pei Zhao, Bundet Boekfa, Ken-ichi Shimizu, Masaru Ogura and Masahiro Ehara

Catal. Sci. Technol., 2021, 11, 1780
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Kinetic and spectroscopic insights into the behaviour of Cu active site for NH3-SCR over zeolites with several topologies

Yusuke Ohata, Hiroe Kubota, Takashi Toyao, Ken-ichi Shimizu, Takeshi Ohnishi, Takahiko Moteki and Masaru Ogura

Catal. Sci. Technol., 2021, 11, 2718
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Investigating the role of Cu-oxo species in Cu-nitrate formation over Cu-CHA catalysts

Chiara Negri, Andrea Martini, Gabriele Deplano, Kirill A. Lomachenko, Ton V. W. Janssens, Elisa Borfecchia, Gloria Berlier and Silvia Bordiga

Phys. Chem. Chem. Phys., 2021, 23, 18322
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First-Principles Thermodynamic Background of the Comprehensive Reaction Network of NO Oxidation over CuSSZ-13 Catalysts─Influence of Copper Speciation and Interpretation of TPD and TPSR Profiles

Bartosz Mozgawa, Filip Zasada, Monika Fedyna, Kinga Góra-Marek, Chengyang Yin, Zhen Zhao, Zbigniew Sojka and Piotr Pietrzyk

ACS Catal., 2025, 15, 2715
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Experimental studies on intracrystalline diffusion of NO and NH3 in Cu-CHA

Yuta Nakasaka, Keigo Kushima, Shunsaku Yasumura, Ken-ichi Shimizu, Keigo Totani, Gen Shibata and Takao Masuda

Catalysis Today, 2023, 411-412, 113823
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Mechanism of Standard NH3–SCR over Cu-CHA via NO+ and HONO Intermediates

Chong Liu, Shunsaku Yasumura, Takashi Toyao, Zen Maeno and Ken-ichi Shimizu

J. Phys. Chem. C, 2022, 126, 11594
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Solvation and Mobilization of Copper Active Sites in Zeolites by Ammonia: Consequences for the Catalytic Reduction of Nitrogen Oxides

Christopher Paolucci, John R. Di Iorio, William F. Schneider and Rajamani Gounder

Acc. Chem. Res., 2020, 53, 1881
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A Theoretical Investigation of Cu+, Ni2+ and Co2+‐Exchanged Zeolites for Hydrogen Storage

M. Olus Ozbek and Bahar Ipek

ChemPhysChem, 2022, 23
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Theoretical Studies on the Mechanism of deNOx Process in Cu–Zn Bimetallic System—Comparison of FAU and MFI Zeolites

Izabela Kurzydym and Izabela Czekaj

Molecules, 2022, 27, 300
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Temperature dependence of Cu(I) oxidation and Cu(II) reduction kinetics in the selective catalytic reduction of NOx with NH3 on Cu-chabazite zeolites

Siddarth H. Krishna, Casey B. Jones and Rajamani Gounder

Journal of Catalysis, 2021, 404, 873
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Mechanism of NH3–Selective Catalytic Reduction (SCR) of NO/NO2 (Fast SCR) over Cu-CHA Zeolites Studied by In Situ/Operando Infrared Spectroscopy and Density Functional Theory

Chong Liu, Grazia Malta, Hiroe Kubota, Takashi Toyao, Zen Maeno and Ken-ichi Shimizu

J. Phys. Chem. C, 2021, 125, 21975
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Kinetic Model for the Reduction of CuII Sites by NO + NH3 and Reoxidation of NH3-Solvated CuI Sites by O2 and NO in Cu-SSZ-13

Rohil Daya, Dylan Trandal, Unmesh Menon, Dhruba J. Deka, William P. Partridge and Saurabh Y. Joshi

ACS Catal., 2022, 12, 6418
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Dual-Site RHC and OHC Transient Kinetics Predict Low-T Standard SCR Steady-State Rates over a Cu-CHA Catalyst

Nicole Daniela Nasello, Nicola Usberti, Umberto Iacobone, Federica Gramigni, Wenshuo Hu, Shaojun Liu, Isabella Nova, Xiang Gao and Enrico Tronconi

ACS Catal., 2023, 13, 2723
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Investigation of Low-Temperature OHC and RHC in NH3–SCR over Cu-CHA Catalysts: Effects of H2O and SAR

Nicole Daniela Nasello, Umberto Iacobone, Nicola Usberti, Andrea Gjetja, Isabella Nova, Enrico Tronconi, Roberta Villamaina, Maria Pia Ruggeri, Djamela Bounechada, Andrew P. E. York and Jillian Collier

ACS Catal., 2024, 14, 4265
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Rational Regulation of Reducibility and Acid Site on Mn–Fe–BTC to Achieve High Low-Temperature Catalytic Denitration Performance

Kunli Song, Kaiyu Guo, Yixuan Lv, Dandan Ma, Yonghong Cheng and Jian-Wen Shi

ACS Appl. Mater. Interfaces, 2023, 15, 4132
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In situ/operando spectroscopic studies on NH3–SCR reactions catalyzed by a phosphorus-modified Cu-CHA zeolite

Hiroe Kubota, Chong Liu, Takehiro Amada, Kenichi Kon, Takashi Toyao, Zen Maeno, Kakuya Ueda, Atsushi Satsuma, Nao Tsunoji, Tsuneji Sano and Kenichi Shimizu

Catalysis Today, 2021, 376, 73
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Identification and quantification of multinuclear Cu active sites derived from monomeric Cu moieties for dry NO oxidation over Cu-SSZ-13

Ishant Khurana, Jonatan D. Albarracin-Caballero and Arthur J. Shih

Journal of Catalysis, 2022, 413, 1111
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Transient kinetic analysis of the standard SCR reduction half cycle on Cu-SSZ-13 catalysts: Roles of temperature, hydrothermal aging and H2O feed content

Nicole Daniela Nasello, Umberto Iacobone, Andrea Gjetja, Isabella Nova, Enrico Tronconi, Rohil Daya, Lai Wei, Hongmei An and Krishna Kamasamudram

Applied Catalysis B: Environment and Energy, 2024, 358, 124360
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Recent Understanding of Low-Temperature Copper Dynamics in Cu-Chabazite NH3-SCR Catalysts

Huarong Lei, Valentina Rizzotto, Anqi Guo, Daiqi Ye, Ulrich Simon and Peirong Chen

Catalysts, 2021, 11, 52
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XAS and DFT investigation of atomically dispersed Cu/Co alloyed Pt local structures under selective hydrogenation of acetylene to ethylene

Olumide Bolarinwa Ayodele, Toyin Daniel Shittu, Olayinka S. Togunwa, Dan Yu and Zhen-Yu Tian

Chemical Engineering Journal, 2024, 479, 147496
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Recent advances in bimetallic small-pore zeolite catalysts for ammonia-assisted selective catalytic reduction of NOx

Mengyang Chen, Shi-Bin Ren and De-Man Han

Chem Synth, 2025, 5
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An Electronic Structural Analysis of O2-Binding Dicopper Complex: Insights from Spin Magnetism and Molecular Orbitals

Ryusei Morimoto, Kanami Sugiyama, Masahiro Higashi and Hirofumi Sato

Chemistry, 2025, 7, 44
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Analogous Mechanistic Features of NH3-SCR over Vanadium Oxide and Copper Zeolite Catalysts

Hiroe Kubota, Takashi Toyao, Zen Maeno, Yusuke Inomata, Toru Murayama, Naoto Nakazawa, Satoshi Inagaki, Yoshihiro Kubota and Ken-ichi Shimizu

ACS Catal., 2021, 11, 11180
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Mesoporous MCM-48 and MCM-41 Silicas Modified with Copper by ADP Method as Effective Catalysts for Low-Temperature NH3-SCR—The Role of Synthesis Conditions and Associated Reactions

Aleksandra Gomułka, Andrzej Kowalczyk, Izabela Majewska, Pegie Cool and Lucjan Chmielarz

Catalysts, 2025, 15, 578
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Nitrogen doping in porous biochar from cotton stalk with H3PO4 activation for reduction of NOx with NH3-SCR at low temperatures: Characteristics and catalytic activity analysis

Shanjian Liu, Xiangdong Feng, Zhuwei Liu, Wenjing Zhao, Yongjun Li and Jiawen Zhang

Fuel, 2023, 332, 126256
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A redox model for NO oxidation, NH3 oxidation and high temperature standard SCR over Cu-SSZ-13

Rohil Daya, Dhruba J. Deka, Anshuman Goswami, Unmesh Menon, Dylan Trandal, William P. Partridge and Saurabh Y. Joshi

Applied Catalysis B: Environmental, 2023, 328, 122524
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Influence of framework Al density in chabazite zeolites on copper ion mobility and reactivity during NOx selective catalytic reduction with NH3

Siddarth H. Krishna, Anshuman Goswami, Yujia Wang, Casey B. Jones, David P. Dean, Jeffrey T. Miller, William F. Schneider and Rajamani Gounder

Nat Catal, 2023, 6, 276
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Cu‐SSZ‐13 Catalysts Designed Through Interzeolite Conversion Process From Different Structure Types of Zeolites for NH3‐SCR‐DeNOx: Structure‐Property Activity Relationships and Intermediates Determination

Alejandro Mollá Robles, Magdalena Jabłońska, Ana Palčić, Matej Bubaš, Jie Yang, Marek Rotko, Muhammad Fernadi Lukman, Anqi Guo, Marko Bertmer, Matej Huš, Junjiang Zhu, Ulrich Simon, Andreas Pöppl and Nataša Novak Tušar

ChemCatChem, 2025
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