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

Chong Liu, Hiroe Kubota, Takehiro Amada, Takashi Toyao, Zen Maeno, Masaru Ogura, Naoto Nakazawa, Satoshi Inagaki, Yoshihiro Kubota and Ken-ichi Shimizu

Catal. Sci. Technol., 2021, 11, 4459
DOI: 10.1039/D1CY00282A

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
DOI: 10.1039/D3TA02205F

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
DOI: 10.1039/D0CY02342F

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
DOI: 10.1039/D0CY01838D

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
DOI: 10.1039/D1CP01754C

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
DOI: 10.1021/acscatal.4c06619

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
DOI: 10.1016/j.cattod.2022.06.038

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
DOI: 10.1021/acs.jpcc.2c03432

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
DOI: 10.1021/acs.accounts.0c00328

A Theoretical Investigation of Cu+, Ni2+ and Co2+‐Exchanged Zeolites for Hydrogen Storage

M. Olus Ozbek and Bahar Ipek

ChemPhysChem, 2022, 23
DOI: 10.1002/cphc.202200272

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
DOI: 10.3390/molecules27010300

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
DOI: 10.1016/j.jcat.2021.08.042

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
DOI: 10.1021/acs.jpcc.1c06651

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
DOI: 10.1021/acscatal.2c01076

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
DOI: 10.1021/acscatal.2c06071

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
DOI: 10.1021/acscatal.4c00118

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
DOI: 10.1021/acsami.2c20545

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
DOI: 10.1016/j.cattod.2020.07.084

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
DOI: 10.1016/j.jcat.2022.08.005

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
DOI: 10.1016/j.apcatb.2024.124360

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
DOI: 10.3390/catal11010052

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
DOI: 10.1016/j.cej.2023.147496

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
DOI: 10.20517/cs.2024.25

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
DOI: 10.3390/chemistry7020044

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
DOI: 10.1021/acscatal.1c02860

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
DOI: 10.3390/catal15060578

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
DOI: 10.1016/j.fuel.2022.126256

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
DOI: 10.1016/j.apcatb.2023.122524

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
DOI: 10.1038/s41929-023-00932-5