Operando Spectroscopic Study of Reduction and Oxidation Half-Cycles in NH3-SCR over CeO2-Supported WO3

Article Chemistry, Physical

Effects of SO2 on standard and fast SCR over CeWOx: A quantitative study of the reaction pathway and active sites

Yanlong Huo et al.

Summary: The presence of SO₂ has less severe negative effects on the fast SCR process compared to standard SCR. SO₂ inhibits NO adsorption and the nitrite path, leading to decreased SCR activity, especially at low temperatures.

APPLIED CATALYSIS B-ENVIRONMENTAL (2022)

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Article Chemistry, Physical

Interconversion between Lewis and Bronsted-Lowry acid sites on vanadia-based catalysts

Rob Jeremiah G. Nuguid et al.

Summary: Temperature, gas feed, and catalyst composition affect the interplay between Lewis acid sites (LAS) and Bronsted-Lowry acid sites (BAS) on vanadia-based materials. Transient experimentation can isolate different LAS, and water can increase BAS. These findings are important for understanding the relationship between LAS and BAS and their role in catalyst reactivity.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

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Article Multidisciplinary Sciences

Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements

So Takamoto et al.

Summary: Researchers have developed a neural network potential that can handle any combination of 45 elements, showcasing its applicability in multiple domains. This technology provides a highly useful tool for material discovery.

NATURE COMMUNICATIONS (2022)

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Article Chemistry, Physical

Mechanism of Standard NH3-SCR over Cu-CHA via NO+ and HONO Intermediates

Chong Liu et al.

Summary: The mechanism of the selective catalytic reduction of NO by NH3 over Cu-CHA zeolite was investigated using in situ/operando IR experiments and density functional theory (DFT) calculations. Experimental results showed the formation of NO+ intermediates, while DFT calculations indicated that Cu sites and Brønsted acid sites played important roles in the reduction half-cycle of NH3-SCR. In this proposed half-cycle, CuII sites activated NO into NO+/HONO intermediates, which then reacted with NH3 over Brønsted acid sites to produce N-2 and H2O.

JOURNAL OF PHYSICAL CHEMISTRY C (2022)

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Review Chemistry, Physical

Recent Progress of CeO2-TiO2 Based Catalysts for Selective Catalytic Reduction of NOx by NH3

Yiqing Zeng et al.

Summary: NH3-SCR is an important method to reduce NOx emissions, with CeO2-TiO2 catalysts gaining attention for their excellent performance. This review summarizes recent studies on CeO2-TiO2 catalysts, focusing on the impact of modification strategies on catalytic performance.

CHEMCATCHEM (2021)

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Article Chemistry, Multidisciplinary

On the Redox Mechanism of Low-Temperature NH3-SCR over Cu-CHA: A Combined Experimental and Theoretical Study of the Reduction Half Cycle

Wenshuo Hu et al.

Summary: This study investigates the redox mechanism of Low-Temperature SCR on Cu-CHA using various techniques, proposing a Cu-II pair mediated pathway for the reduction half-cycle, challenging previous mechanistic proposals based on isolated Cu-II ions. The results highlight the important role of dinuclear Cu complexes in both oxidation and reduction reactions of Low-Temperature SCR.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Article Chemistry, Physical

Lean NOx Capture and Reduction by NH3 via NO+ Intermediates over H-CHA at Room Temperature

Shunsaku Yasumura et al.

Summary: The study found that NO' species formed on H-CHA and Cu-CHA are more stable at lower temperatures, with a negative apparent activation energy for the formation of NO+ species on H-CHA. DFT calculations showed that Bronsted acid sites in zeolite pores promote the dissociation of N2O4 intermediates and the reduction of NO+ species by NH3 has a considerably low activation barrier.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

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Review Chemistry, Physical

Recent advances in hybrid metal oxide-zeolite catalysts for low-temperature selective catalytic reduction of NOx by ammonia

Tahrizi Andana et al.

Summary: This review discusses the potential advancement of a hybrid catalytic system consisting of metal oxide and zeolite components for the selective catalytic reduction of NOx by ammonia. It explores the synergy between the components, materials selection, recent research on NH3-SCR investigations, and potential future challenges in the development of this innovative catalytic system.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

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Review Energy & Fuels

Cerium Oxide-Based Catalysts for Low-Temperature Selective Catalytic Reduction of NOx with NH3: A Review

Jue Zhou et al.

Summary: This paper reviews the recent progress on Ce-based catalysts for low-temperature SCR de-NOx, including single CeOx, Ce-based multimetal oxide, and Ce-based multimetal oxides with support. For single CeOx, the reasons for significant catalytic activity and the function of CeOx in the reactions are systematically reviewed. In the study of multimetal oxide catalysts, the various roles played by the components of catalysts are summarized from multiple aspects.

ENERGY & FUELS (2021)

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Article Chemistry, Physical

Ta and Mo oxides supported on CeO2-TiO2 for the selective catalytic reduction of NOx with NH3 at low temperature

Jawaher Mosrati et al.

Summary: NOx reduction using NH3-SCR technology is an efficient method for reducing nitrogen oxide emissions, and the Mo5/Ce40/Ti100 (SG) catalyst supported on ceria-titania shows excellent performance at low temperatures, achieving high NOx conversion rates and N-2 selectivity.

JOURNAL OF CATALYSIS (2021)

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Article Chemistry, Applied

Optimizing acid promoters of Ce-based NH3-SCR catalysts for reducing NOx emissions

Shuang Liu et al.

Summary: WO3 and MoO3 are often used as acidic promoters to improve the NH3-SCR performance of composite oxide catalysts, but recent research showed significant differences in their effects on CeZrOx, with WO3/CeZrOx exhibiting wider operating temperature window and higher NOx removal efficiency compared to MoO3/CeZrOx.

CATALYSIS TODAY (2021)

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Article Chemistry, Physical

Activating low-temperature NH3-SCR catalyst by breaking the strong interface between acid and redox sites: A case of model Ce2(SO4)3-CeO2 study

Jiawei Ji et al.

Summary: The study investigates the impact of acid-redox interaction on NH3-SCR performance using three different types of Ce-2(SO4)(3)-CeO2 model catalysts. It is found that the electron-withdrawing effect from sulfate significantly disturbs the redox property, while the introduction of Ce-2(SO4)(3) retards oxygen vacancy formation over CeO2. The weakened acid-redox interaction changes the nature of surface NOx species and promotes surface reaction via Langmuir-Hinshelwood mechanism, ultimately affecting the overall NH3-SCR performance.

JOURNAL OF CATALYSIS (2021)

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Article Chemistry, Physical

Analogous Mechanistic Features of NH3-SCR over Vanadium Oxide and Copper Zeolite Catalysts

Hiroe Kubota et al.

Summary: In this study, the researchers investigated the reduction/oxidation half-cycles of the selective catalytic reduction of NO with NH3 at 200 degrees C using in situ and operando spectroscopies. They proposed a general mechanism that is applicable to both V and Cu catalysts, where N-2 and H2O are formed during the reduction half-cycle and the regenerated V(V) or Cu(II) sites react with surface H+ to produce H2O during the oxidation half-cycle. The results provide comprehensive evidence of the general mechanism of NH3-SCR.

ACS CATALYSIS (2021)

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Article Chemistry, Multidisciplinary

Alternate pathway for standard SCR on Cu-zeolites with gas-phase ammonia

Rohil Daya et al.

Summary: Redox mechanisms for the SCR of NOx over Cu-zeolites have been theorized, but experimental data does not support NH3 solvation of active copper sites as the initial step for NO consumption. Models predict an initial delay in NO consumption and suggest an alternate SCR pathway utilizing gas-phase NH3, which has been confirmed experimentally. The results suggest a feasible mechanistic pathway involving the reduction of copper sites by NO to generate mobile HONO intermediates.

REACTION CHEMISTRY & ENGINEERING (2021)

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Article Chemistry, Physical

Understanding the nature of NH3-coordinated active sites and the complete reaction schemes for NH3-SCR using Cu-SAPO-34 catalysts

Guangpeng Yang et al.

Summary: This study utilized DFT calculations and ab initio thermodynamics to investigate the coordination of NH3 and H2O to copper species under typical NH3-SCR reaction conditions. The results showed that Bronsted acid sites play a crucial role in the decomposition of intermediates, rather than copper species. Additionally, NH2NO decomposition is more energetically favorable than NH4NO2 on Bronsted acid sites.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

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Review Chemistry, Applied

Revisiting ceria-NOx interaction: FTIR studies

Mihail Y. Mihaylov et al.

CATALYSIS TODAY (2020)

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Article Chemistry, Physical

In Situ Spectroscopic Studies on the Redox Cycle of NH3-SCR over Cu-CHA Zeolites

Chong Liu et al.

CHEMCATCHEM (2020)

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Article Chemistry, Physical

Selective Catalytic Reduction of NO with NH3 on Cu-SSZ-13: Deciphering the Low and High-temperature Rate-limiting Steps by Transient XAS Experiments

Adam H. Clark et al.

CHEMCATCHEM (2020)

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Article Chemistry, Physical

A Complete Multisite Reaction Mechanism for Low-Temperature NH3-SCR over Cu-CHA

Lin Chen et al.

ACS CATALYSIS (2020)

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Review Chemistry, Multidisciplinary

Solvation and Mobilization of Copper Active Sites in Zeolites by Ammonia: Consequences for the Catalytic Reduction of Nitrogen Oxides

Christopher Paolucci et al.

ACCOUNTS OF CHEMICAL RESEARCH (2020)

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Article Chemistry, Physical

Synergy of vanadia and ceria in the reaction mechanism of low-temperature selective catalytic reduction of NOx by NH3

Wenshuo Hu et al.

JOURNAL OF CATALYSIS (2020)

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Article Chemistry, Physical

Combining Kinetics and Operando Spectroscopy to Interrogate the Mechanism and Active Site Requirements of NOx Selective Catalytic Reduction with NH3 on Cu-Zeolites

Siddarth H. Krishna et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)

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Article Chemistry, Physical

Changes in Surface Oxygen Vacancy Formation Energy at Metal/Oxide Perimeter Sites: A Systematic Study on Metal Nanoparticles Deposited on an In2O3(111) Support

Yoyo Hinuma et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

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Article Chemistry, Multidisciplinary

Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy

Alex G. Greenaway et al.

CHEMICAL SCIENCE (2020)

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Review Chemistry, Multidisciplinary

A review of defect structure and chemistry in ceria and its solid solutions

Rafael Schmitt et al.

CHEMICAL SOCIETY REVIEWS (2020)

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Review Chemistry, Multidisciplinary

Selective Catalytic Reduction of NOx with NH3 by Using Novel Catalysts: State of the Art and Future Prospects

Lupeng Han et al.

CHEMICAL REVIEWS (2019)

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Article Chemistry, Physical

Design and Synthesis of Highly-Dispersed WO3 Catalyst with Highly Effective NH3-SCR Activity for NOX Abatement

Haidi Xu et al.

ACS CATALYSIS (2019)

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Article Chemistry, Physical

Quantitative study of the NH3-SCR pathway and the active site distribution over CeWOx at low temperatures

Kuo Liu et al.

JOURNAL OF CATALYSIS (2019)

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Article Chemistry, Multidisciplinary

Photocatalytic primary alcohol oxidation on WO3 nanoplatelets

Kori D. McDonald et al.

RSC ADVANCES (2019)

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Review Chemistry, Multidisciplinary

Development of cerium-based catalysts for selective catalytic reduction of nitrogen oxides: a review

Junqiang Xu et al.

NEW JOURNAL OF CHEMISTRY (2019)

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Article Chemistry, Physical

Mo doping as an effective strategy to boost low temperature NH3-SCR performance of CeO2/TiO2 catalysts

Lulu Li et al.

CATALYSIS COMMUNICATIONS (2018)

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Article Chemistry, Physical

Experimental assessment of the bifunctional NH3-SCR pathway and the structural and acid-base properties of WO3 dispersed on CeO2 catalysts

Masaoki Iwasaki et al.

JOURNAL OF CATALYSIS (2018)

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Article Chemistry, Physical

A Perspective on the Selective Catalytic Reduction (SCR) of NO with NH3 by Supported V2O5-WO3/TiO2 Catalysts

Jun-Kun Lai et al.

ACS CATALYSIS (2018)

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Article Chemistry, Physical

Density Functional Theory Calculations of Oxygen Vacancy Formation and Subsequent Molecular Adsorption on Oxide Surfaces

Yoyo Hinuma et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

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Article Multidisciplinary Sciences

Polymeric vanadyl species determine the low-temperature activity of V-based catalysts for the SCR of NOx with NH3

Guangzhi He et al.

SCIENCE ADVANCES (2018)

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Article Chemistry, Multidisciplinary

Selective Catalytic Reduction over Cu/SSZ-13: Linking Homo- and Heterogeneous Catalysis

Feng Gao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

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Article Chemistry, Physical

Increasing Oxide Reducibility: The Role of Metal/Oxide Interfaces in the Formation of Oxygen Vacancies

Antonio Ruiz Puigdollers et al.

ACS CATALYSIS (2017)

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Article Chemistry, Physical

Mechanistic assessments of NO oxidation turnover rates and active site densities on WO3-promoted CeO2 catalysts

Masaoki Iwasaki et al.

JOURNAL OF CATALYSIS (2016)

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Article Chemistry, Physical

Structural Changes in Ce0.5Zr0.5O2-δ under Temperature-Swing and Isothermal Solar Thermochemical Looping Conditions Determined by in Situ Ce K and Zr K Edge X-ray Absorption Spectroscopy

Matthaus Rothensteiner et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

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Article Chemistry, Applied

New Insights into the Mechanism of Synergistic Effect for [CeO2-ZrO2 + H-Beta] CombiCat in NH3-SCR

Alina I. Mytareva et al.

TOPICS IN CATALYSIS (2016)

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Article Chemistry, Physical

Understanding Catalytic Reactions over Zeolites: A Density Functional Theory Study of Selective Catalytic Reduction of NOx by NH3 over Cu-SAPO-34

Yu Mao et al.

ACS CATALYSIS (2016)

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Article Chemistry, Physical

Identification of the reaction pathway and reactive species for the selective catalytic reduction of NO with NH3 over cerium-niobium oxide catalysts

Ruiyang Qu et al.

CATALYSIS SCIENCE & TECHNOLOGY (2016)

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Article Chemistry, Applied

Combined catalytic systems for enhanced low-temperature NOx abatement

A. Yu Stakheev et al.

CATALYSIS TODAY (2015)

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Review Chemistry, Multidisciplinary

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

A. M. Beale et al.

CHEMICAL SOCIETY REVIEWS (2015)

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Article Chemistry, Physical

Flame-Made WO3/CeOx-TiO2 Catalysts for Selective Catalytic Reduction of NOx by NH3′

Katarzyna A. Michalow-Mauke et al.

ACS CATALYSIS (2015)

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Article Chemistry, Physical

DRIFTS study of a Ce-W mixed oxide catalyst for the selective catalytic reduction of NOx with NH3

Kuo Liu et al.

CATALYSIS SCIENCE & TECHNOLOGY (2015)

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Article Chemistry, Physical

Selective catalytic reduction of NOx by NH3 over MoO3-promoted CeO2/TiO2 catalyst

Zhiming Liu et al.

CATALYSIS COMMUNICATIONS (2014)

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Article Chemistry, Physical

Dual Ce4+/Fe3+ Redox Phenomena into Nanocrystalline Ce1-xFexO2-x/2 Solid Solution

Iona Moog et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

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Article Chemistry, Physical

Identification of the active sites on CeO2-WO3 catalysts for SCR of NOx with NH3: An in situ IR and Raman spectroscopy study

Yue Peng et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2013)

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Article Chemistry, Applied

Time-resolved in situ UV/vis spectroscopy for analyzing the dynamics of surface and bulk redox processes in materials used as oxygen storage capacitors

Evgenii V. Kondratenko et al.

CATALYSIS TODAY (2011)

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Article Chemistry, Multidisciplinary

Novel cerium-tungsten mixed oxide catalyst for the selective catalytic reduction of NOx with NH3

Wenpo Shan et al.

CHEMICAL COMMUNICATIONS (2011)

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Article Chemistry, Multidisciplinary

Effect of the Damping Function in Dispersion Corrected Density Functional Theory

Stefan Grimme et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

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Article Chemistry, Physical

Selective catalytic reduction of NO by NH3 over a Ce/TiO2 catalyst

Wenqing Xu et al.

CATALYSIS COMMUNICATIONS (2008)

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Article Chemistry, Multidisciplinary

WO3/CeO2-ZrO2, a promising catalyst for selective catalytic reduction (SCR) of NOx with NH3 in diesel exhaust

Ye Li et al.

CHEMICAL COMMUNICATIONS (2008)

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Article Physics, Multidisciplinary

Restoring the density-gradient expansion for exchange in solids and surfaces

John P. Perdew et al.

PHYSICAL REVIEW LETTERS (2008)

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Article Instruments & Instrumentation

ATHENA, ARTEMIS, HEPHAESTUS:: data analysis for X-ray absorption spectroscopy using IFEFFIT

B Ravel et al.

JOURNAL OF SYNCHROTRON RADIATION (2005)

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Article Chemistry, Physical

The adsorption of NO2 and the NO+O2 reaction on Na-Y,FAU:: an in situ FTIR investigation

J Szanyi et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2003)

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Article Materials Science, Multidisciplinary

Composition, structure, and stability of RuO2(110) as a function of oxygen pressure -: art. no. 035406

K Reuter et al.

PHYSICAL REVIEW B (2002)

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Operando Spectroscopic Study of Reduction and Oxidation Half-Cycles in NH3-SCR over CeO2-Supported WO3

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