☆ 4.8 Article

Mechanistic modelling of catalytic NOX reduction reactions after hydrogen or ammonia combustion on multiple scales

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2023)

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Scale Activity Relationship of MnOx-FeOy Nanocage Catalysts Derived from Prussian Blue Analogues for Low-Temperature NO Reduction: Experimental and DFT Studies

Lijun Yan et al.

ACS APPLIED MATERIALS & INTERFACES (2017)

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Article Chemistry, Physical

Comparing the degradation of acetochlor to RhB using BiOBr under visible light: A significantly different rate-catalyst dose relationship

Peng Yi-Zhu et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2016)

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Article Chemistry, Physical

Nature of Cu Species in Cu-SAPO-18 Catalyst for NH3-SCR: Combination of Experiments and DFT Calculations

Yongheng Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

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Article Chemistry, Physical

Mechanistic Study of Selective Catalytic Reduction of NO with NH3 on W-Doped CeO2 Catalysts: Unraveling the Catalytic Cycle and the Role of Oxygen Vacancy

Bing Liu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

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Article Chemistry, Physical

DFT insights into the adsorption of NH3-SCR related small gases in Mn-MOF-74

Minhua Zhang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

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Article Chemistry, Physical

Promotional effect of the TiO2 (001) facet in the selective catalytic reduction of NO with NH3: in situ DRIFTS and DFT studies

Lei Huang et al.

CATALYSIS SCIENCE & TECHNOLOGY (2016)

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Article Chemistry, Physical

A mechanistic DFT study of low temperature SCR of NO with NH3 on MnCe1-xO2(111)

Weiyu Song et al.

CATALYSIS SCIENCE & TECHNOLOGY (2016)

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Article Chemistry, Physical

Kinetic modelling of the NOx reduction by H2 on Pt/WO3/ZrO2 catalyst in excess of O2

Christoph Hahn et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2015)

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Article Chemistry, Applied

An experimental and DFT study of the adsorption and oxidation of NH3 on a CeO2 catalyst modified by Fe, Mn, La and Y

Yue Peng et al.

CATALYSIS TODAY (2015)

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Article Engineering, Environmental

Ceria promotion on the potassium resistance of MnOx/TiO2 SCR catalysts: An experimental and DFT study

Yue Peng et al.

CHEMICAL ENGINEERING JOURNAL (2015)

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Review Chemistry, Multidisciplinary

Chemistry of Atmospheric Brown Carbon

Alexander Laskin et al.

CHEMICAL REVIEWS (2015)

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Article Energy & Fuels

Laminar burning velocity and Markstein length of ammonia/air premixed flames at various pressures

Akihiro Hayakawa et al.

FUEL (2015)

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Article Environmental Sciences

Effect of water vapor on NH3-NO/NO2 SCR performance of fresh and aged MnOx-NbOx-CeO2 catalysts

Lei Chen et al.

JOURNAL OF ENVIRONMENTAL SCIENCES (2015)

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Article Chemistry, Multidisciplinary

Revisiting the nature of Cu sites in the activated Cu-SSZ-13 catalyst for SCR reaction

E. Borfecchia et al.

CHEMICAL SCIENCE (2015)

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Article Multidisciplinary Sciences

Does toxicity of aromatic pollutants increase under remote atmospheric conditions?

Ana Kroflic et al.

SCIENTIFIC REPORTS (2015)

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Article Chemistry, Multidisciplinary

Isolation of the Copper Redox Steps in the Standard Selective Catalytic Reduction on Cu-SSZ-13

Christopher Paolucci et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

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Article Engineering, Environmental

Insight into Deactivation of Commercial SCR Catalyst by Arsenic: An Experiment and DFT Study

Yue Peng et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2014)

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Article Chemistry, Multidisciplinary

Selective Catalytic Reduction of NO Over Fe-ZSM-5: Mechanistic Insights by Operando HERFD-XANES and Valence-to-Core X-ray Emission Spectroscopy

Alexey Boubnov et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

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Article Thermodynamics

Modeling the selective catalytic reduction of NOx by ammonia over a Vanadia-based catalyst from heavy duty diesel exhaust gases

Byoung Kyu Yun et al.

APPLIED THERMAL ENGINEERING (2013)

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Article Engineering, Chemical

Experimental and kinetic modeling study of NH3-SCR of NOx on Fe-ZSM-5, Cu-chabazite and combined Fe- and Cu-zeolite monolithic catalysts

Pranit S. Metkar et al.

CHEMICAL ENGINEERING SCIENCE (2013)

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Review Environmental Sciences

A review of airborne polycyclic aromatic hydrocarbons (PAHs) and their human health effects

Ki-Hyun Kim et al.

ENVIRONMENT INTERNATIONAL (2013)

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Article Energy & Fuels

Performance characteristics of a compression-ignition engine using direct-injection ammonia-DME mixtures

Christopher W. Gross et al.

FUEL (2013)

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Article Chemistry, Physical

Combination of Experimental and Theoretical Investigations of MnOx/Ce0.9Zr0.1O2 Nanorods for Selective Catalytic Reduction of NO with Ammonia

Phornphimon Maitarad et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2013)

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Article Chemistry, Applied

Experimental and kinetic modeling study of NO oxidation: Comparison of Fe and Cu-zeolite catalysts

Pranit S. Metkar et al.

CATALYSIS TODAY (2012)

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Article Chemistry, Applied

Detailed kinetic modeling of the NH3-NO/NO2 SCR reactions over a commercial Cu-zeolite catalyst for Diesel exhausts after treatment

Massimo Colombo et al.

CATALYSIS TODAY (2012)

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Article Chemistry, Applied

Integrated operando X-ray absorption and DFT characterization of Cu-SSZ-13 exchange sites during the selective catalytic reduction of NOx with NH3

J. -S. McEwen et al.

CATALYSIS TODAY (2012)

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Article Engineering, Environmental

Design Strategies for Development of SCR Catalyst: Improvement of Alkali Poisoning Resistance and Novel Regeneration Method

Yue Peng et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2012)

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Article Engineering, Environmental

Fate of Hazardous Air Pollutants in Oxygen-Fired Coal Combustion with Different Flue Gas Recycling

Ye Zhuang et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2012)

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Article Chemistry, Physical

SO2 Poisoning Structures and the Effects on Pure and Mn Doped CeO2: A First Principles Investigation

Yue Liu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

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Article Chemistry, Physical

SOx on ceria from adsorbed SO2

Zhansheng Lu et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

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Article Chemistry, Physical

Bronsted-NH4+ mechanism versus nitrite mechanism: new insight into the selective catalytic reduction of NO by NH3

Ru-Ming Yuan et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

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Article Green & Sustainable Science & Technology

New approach to common removal of dioxins and NOx as a contribution to environmental protection

Radek Dvorak et al.

JOURNAL OF CLEANER PRODUCTION (2010)

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Article Chemistry, Physical

A DFT periodic study on the interaction between O-2 and cation exchanged chabazite MCHA (M = H+, Na+ or Cu+): effects in the triplet-singlet energy gap

Yoana Perez-Badell et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

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Article Chemistry, Physical

Reduction of NOx by H2 on Pt/WO3/ZrO2 catalysts in oxygen-rich exhaust

F. J. P. Schott et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2009)

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Article Chemistry, Physical

Correlation Between Catalytic Activity and Metal Cation Coordination: NO Decomposition Over Cu/Zeolites

Angeles Pulido et al.

CHEMCATCHEM (2009)

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Article Chemistry, Physical

Density functional theory (DFT) study of the interaction of ammonia with pure and tungsten-doped ceria

Ameya Joshi et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)

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Review Thermodynamics

Hydrogen-fueled internal combustion engines

Sebastian Verhelst et al.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2009)

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Article Chemistry, Physical

Oxidative conversion of C1-C3 alkanes by vanadium oxide catalysts. DFT results and their accuracy

Xavier Rozanska et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)

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Article Chemistry, Physical

A DFT Study toward Understanding the High Activity of Fe-Exchanged Zeolites for the Fast Selective Catalytic Reduction of Nitrogen Oxides with Ammonia

Jun Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2008)

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Article Chemistry, Physical

Vanadia-based SCR catalysts supported on tungstated and sulfated zirconia: Influence of doping with potassium

Johannes Skotte et al.

JOURNAL OF CATALYSIS (2007)

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Review Environmental Sciences

Control of combustion-generated nitrogen oxides by selective non-catalytic reduction

M. Tayyeb Javed et al.

JOURNAL OF ENVIRONMENTAL MANAGEMENT (2007)

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Article Chemistry, Physical

Modeling and simulation of the injection of urea-water-solution for automotive SCR DeNOx-systems

Felix Birkhold et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2007)

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Article Chemistry, Physical

Ammonia IRMS-TPD measurements and DFT calculation on acidic hydroxyl groups in CHA-type zeolites

Katsuki Suzuki et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

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Review Toxicology

Evidence of health impacts of sulfate- and nitrate-containing particles in ambient air

Richard Reiss et al.

INHALATION TOXICOLOGY (2007)

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Article Chemistry, Applied

A quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst surface

Sezen Soyer et al.

CATALYSIS TODAY (2006)

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Article Energy & Fuels

Hydrogen as burner fuel:: modelling of hydrogen-hydrocarbon composite fuel combustion and NOx formation in a small burner

M Ilbas et al.

INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2005)

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Article Chemistry, Physical

Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria

M Nolan et al.

SURFACE SCIENCE (2005)

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Letter Chemistry, Physical

First principles studies of vanadia-titania monolayer catalysts: Mechanisms of NO selective reduction

A Vittadini et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

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Article Chemistry, Applied

Non-thermal plasma-assisted NOx reduction over alkali and alkaline earth ion exchanged Y, FAU zeolites

JH Kwak et al.

CATALYSIS TODAY (2004)

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Review Chemistry, Physical

Modeling catalytic reduction of NO by ammonia over V2O5

M Calatayud et al.

SURFACE SCIENCE REPORTS (2004)

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Article Chemistry, Physical

Density-functional theory characterization of acid sites in chabazite

C Lo et al.

JOURNAL OF CATALYSIS (2004)

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Article Chemistry, Physical

Density functional theory studies of mechanistic aspects of the SCR reaction on vanadium oxide catalysts

M Anstrom et al.

JOURNAL OF CATALYSIS (2003)

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Article Chemistry, Applied

Automotive catalytic converters: current status and some perspectives

J Kaspar et al.

CATALYSIS TODAY (2003)

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Article Chemistry, Physical

The role of tungsten in formation of active sites for no SCR on the V-W-O catalyst surface -: quantum chemical modeling (DFT)

E Broclawik et al.

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2001)

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Article Chemistry, Physical

A reinterpretation of the EPR spectra of Cu(II) in zeolites A, Y and ZK4, based on ab initio cluster model calculations

K Pierloot et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)

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Article Chemistry, Physical

Statistical analysis of Al distributions and metal ion pairing probabilities in zeolites

BR Goodman et al.

CATALYSIS LETTERS (2000)

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