Reduction Of NO Research Articles

Screening of Silver-Based Single-Atom Alloy Catalysts for NO Electroreduction to NH3 by DFT Calculations and Machine Learning.

Exploring NO reduction reaction (NORR) electrocatalysts with high activity and selectivity toward NH3 is essential for both NO removal and NH3 synthesis. Due to their superior electrocatalytic activities, single-atom alloy (SAA) catalysts have attracted considerable attention. However, the exploration of SAAs is hindered by a lack of fast yet reliable prediction of catalytic performance. To address this problem, we comprehensively screened a series of transition-metal atom doped Ag-based SAAs. This screening process involves regression machine learning (ML) algorithms and a compressed-sensing data-analytics approach parameterized with density-functional inputs. The results demonstrate that Cu/Ag and Zn/Ag can efficiently activate and hydrogenate NO with small Φmax(η), a grand-canonical adaptation of the Gmax(η) descriptor, and exhibit higher affinity to NO over H adatoms to suppress the competing hydrogen evolution reaction. The NH3 selectivity is mainly determined by the s orbitals of the doped single-atom near the Fermi level. The catalytic activity of SAAs is highly correlated with the local environment of the active site. We further quantified the relationship between the intrinsic features of these active sites and Φmax(η). Our work clarifies the mechanism of NORR to NH3 and offers a design principle to guide the screen of highly active SAA catalysts.

Screening of Silver‐Based Single‐Atom Alloy Catalysts for NO Electroreduction to NH3 by DFT Calculations and Machine Learning

AbstractExploring NO reduction reaction (NORR) electrocatalysts with high activity and selectivity toward NH3 is essential for both NO removal and NH3 synthesis. Due to their superior electrocatalytic activities, single‐atom alloy (SAA) catalysts have attracted considerable attention. However, the exploration of SAAs is hindered by a lack of fast yet reliable prediction of catalytic performance. To address this problem, we comprehensively screened a series of transition‐metal atom doped Ag‐based SAAs. This screening process involves regression machine learning (ML) algorithms and a compressed‐sensing data‐analytics approach parameterized with density‐functional inputs. The results demonstrate that Cu/Ag and Zn/Ag can efficiently activate and hydrogenate NO with small Φmax(η), a grand‐canonical adaptation of the Gmax(η) descriptor, and exhibit higher affinity to NO over H adatoms to suppress the competing hydrogen evolution reaction. The NH3 selectivity is mainly determined by the s orbitals of the doped single‐atom near the Fermi level. The catalytic activity of SAAs is highly correlated with the local environment of the active site. We further quantified the relationship between the intrinsic features of these active sites and Φmax(η). Our work clarifies the mechanism of NORR to NH3 and offers a design principle to guide the screen of highly active SAA catalysts.

The effect of the ultra-low emission zone on PM2.5 concentration in Seoul, South Korea

As studies regarding the positive effect of Low Emission Zones (LEZs) and people's risk perception about air pollution have increased, more powerful and specific traffic regulation policies have been required. London is the first city in the world to implement an Ultra-low Emission Zone (ULEZ) in addition to the existing LEZ. Benchmarking London's ULEZ, a ULEZ policy was implemented in Seoul, South Korea on December 1, 2019. The goal of the policy is to improve air quality by prohibiting entry of vehicles registered nationwide into Seoul's ULEZ that do not meet a specific emission standard including diesel, gasoline, and LPG fuel-based vehicles. This study analyzed the effect of Seoul's ULEZ policy on the five major atmospheric pollutants (PM2.5, PM10, NO2, CO, SO2, O3) concentration in the zone, particularly focusing on PM2.5 concentration. The analysis employs Difference-in-Differences (DD) approach, comparing data from one year before and after the policy's implementation on December 1, 2019. The findings indicate that Seoul's ULEZ policy resulted in a 9.8% increase in PM2.5 concentrations. Conversely, the policy led to reductions in PM10, NO2, CO, and SO2 concentrations by 12.0%, 17.3%, 5.9%, and 10.8%, respectively, while the effect on O3 was statistically insignificant. These empirical results suggest that the ULEZ may need to incorporate more stringent emission standards, expand its coverage, or introduce additional measures to address the unintended increase in PM2.5 concentration.

Practical Considerations for Understanding Surface Reaction Mechanisms Involved in Heterogeneous Catalysis.

Acquiring useful knowledge about the active site(s) of a catalyst, nature of reactant-catalyst interactions, nature of reactive intermediates, rate-determining step, reaction rate orders that affect various process parameters, and reaction mechanism as a whole is exceedingly challenging. This is especially true in the case of heterogeneous catalysts due to the complexity of the nature of surface active sites and their nonstatic behavior. Here, we present our perspective on differentiating between various surface reaction mechanisms in light of pioneering studies by leaders in the field, with the aim of clarifying some of the confusion associated with these complex mechanisms, especially the Eley-Rideal mechanism. Using bibliometric analysis, we identify and discuss the following four reactions that most commonly invoke the Eley-Rideal mechanism: H2 activation, CO oxidation, esterification of alcohols by acids, and selective catalytic reduction (SCR) of NO x with NH3. Our analysis of studies utilizing well-suited experimental and computational methodologies for differentiating surface reaction mechanisms suggests that the above-mentioned four reactions do not occur via the Eley-Rideal mechanism. Instead, each reaction occurs via the Langmuir-Hinshelwood mechanism with nonidealities present. Lastly, we highlight practical considerations regarding select experimental (characterization methods and differential kinetics) and computational modeling that we believe can provide useful insights to accurately discern between the various possible reaction mechanisms in heterogeneous catalysis.

Sulfur-resistant mechanism of MnOx@CeO2@MgO core-shell catalyst in simultaneous removal of NOx and chlorobenzene

Herein, Mn-Ce based catalysts with different structures were rationally designed to explore their sulfur-resistant mechanism for simultaneous removal of NOx and chlorobenzene (CB) from waste incineration at low temperature. In the presence of SO2, MnOx@CeO2@MgO exhibits the highest sulfur resistance among prepared catalysts. Both NOx and CB conversion over MnOx@CeO2@MgO can reach up to 80 % at 300 °C. However, the significant deactivation is observed for MnCeMgOx within all temperature ranges. For the selectivity of products, MnOx@CeO2@MgO displays the excellent N2 selectivity (93 %) and good CO2 selectivity (80 %) at 300 °C. Compared with NO reduction, SO2 has a greater impact on CB destruction due to the consumption of reactive oxygen species during SO2 oxidation. The reduction of active oxygen is proposed to be the reason for the significant inhibition of CB oxidation. The addition of MgO shell increases the proportion of lattice oxygen, which is beneficial to improving the sulfur resistance of MnOx@CeO2@MgO catalyst. In addition, SO2 can react with MgO preferentially to protect the active sites and improve the sulfur resistance. This work indicates that MnOx@CeO2@MgO core-shell catalyst with good sulfur tolerance and stability is expected to be applied in the potential application.

Mechanism of gas-phase sulfur modified Fe-Ce catalysts in the NH3-SCR reaction

Fe-Ce catalysts were prepared and then sulfated with SO2 in the selective catalytic reduction of NO by NH3. S-CP-Fe-Ce with precipitation method exhibited the highest activity, which is due to large specific surface area, the abundance of oxygen vacancies as well as the formation of Fe-O-Ce structure, thus contributing to the strong redox capacity. Furthermore, sulfates on S-CP-Fe-Ce facilitate the conversion of Lewis acid sites to Brönsted acid sites, and promote the transformation of low-active nitrates to highly active nitrates, which is crucial for enhancing its activity. Besides, NH3 adsorbed over S-CP-Fe-Ce easily undergoes oxidation and dehydrogenation to form -NH2, which further reacts with gaseous NO, causing the superior catalytic performance. Additionally, NO was activated to form highly active monodentate nitrate and cis-N2O22-, enabling the rapid reaction with NH3, leading to the outstanding the catalytic activity. The NH3-SCR reaction of S-CP-Fe-Ce simultaneously involves E-R and l-H mechanisms.

Understanding the roles of Brønsted/Lewis acid sites on manganese oxide-zeolite hybrid catalysts for low-temperature NH3-SCR

Although metal oxide-zeolite hybrid materials have long been known to achieve enhanced catalytic activity and selectivity in NOx removal reactions through the inter-particle diffusion of intermediate species, their subsequent reaction mechanism on acid sites is still unclear and requires investigation. In this study, the distribution of Brønsted/Lewis acid sites in the hybrid materials was precisely adjusted by introducing potassium ions, which not only selectively bind to Brønsted acid sites but also potentially affect the formation and diffusion of activated NO species. Systematic in situ diffuse reflectance infrared Fourier transform spectroscopy analyses coupled with selective catalytic reduction of NOx with NH3 (NH3-SCR) reaction demonstrate that the Lewis acid sites over MnOx are more active for NO reduction but have lower selectivity to N2 than Brønsted acids sites. Brønsted acid sites primarily produce N2, whereas Lewis acid sites primarily produce N2O, contributing to unfavorable N2 selectivity. The Brønsted acid sites present in Y zeolite, which are stronger than those on MnOx, accelerate the NH3-SCR reaction in which the nitrite/nitrate species diffused from the MnOx particles rapidly convert into the N2. Therefore, it is important to design the catalyst so that the activated NO species formed in MnOx diffuse to and are selectively decomposed on the Brønsted acid sites of H-Y zeolite rather than that of MnOx particle. For the physically mixed H-MnOx+H-Y sample, the abundant Brønsted/Lewis acid sites in H-MnOx give rise to significant consumption of activated NO species before their inter-particle diffusion, thereby hindering the enhancement of the synergistic effects. Furthermore, we found that the intercalated K+ in K-MnOx has an unexpected favorable role in the NO reduction rate, probably owing to faster diffusion of the activated NO species on K-MnOx than H-MnOx. This study will help to design promising metal oxide-zeolite hybrid catalysts by identifying the role of the acid sites in two different constituents.

The Catalytic Mechanisms and Design Strategies of Noble Metal Catalysts for Selective Reduction of NOx with CO

AbstractThe selective catalytic reduction of NOx by CO (CO‐SCR) is a viable method for simultaneously mitigating NOx and CO emissions in motor vehicle exhaust and industrial flue gases. Extensive research has been conducted on noble metal catalysts because of their superior catalytic activity and stability compared to non‐noble metals. Noble metal catalysts demonstrate efficient NOx conversion and high selectivity for N2. However, achieving high conversion, selectivity, and stability over a wide temperature range in the presence of excess O2, H2O, and SO2 remains a significant challenge. This review summarizes recent advancements in CO‐SCR over noble metal catalysts, providing insights for the development of CO‐SCR catalysts. This paper first examines the reaction mechanisms of CO‐SCR, followed by a discussion on the design and optimization strategies of noble metal catalysts, with a focus on composition and structural effects. This includes creating active metal sites, selecting appropriate supports, integrating catalytic additives, choosing monometallic nanoparticles, alloying, and using single‐atom catalysts. Finally, remaining challenges and potential avenues for future research have been suggested. The discovery of negatively charged noble metal single‐atom‐site catalysts presents new research opportunities.

Strikingly Facile Cleavage of N-H/N-O Bonds Induced by Surface Frustrated Lewis Pair on CeO2(110) to Boost NO Reduction by NH3.

Ceria with surface solid frustrated Lewis pairs (FLPs), formed by regulating oxygen vacancies, demonstrate remarkable ability in activating small molecules. In this work, we extended the application of FLPs on CeO2(110) to the selective catalytic reduction of NO by NH3 (NH3-SCR), finding a notable enhancement in performance compared to ordinary CeO2(110). Additionally, an innovative approach involving H2 treatment was discovered to increase the number of FLPs, thereby further boosting the NH3-SCR efficiency. Typically, NH3-SCR on regular CeO2 follows the Eley-Rideal (E-R) mechanism. However, density functional theory (DFT) calculations revealed a significant reduction in the energy barriers for the activation of N-O and N-H bonds under the Langmuir-Hinshelwood (L-H) mechanism with FLPs present. This transition shifted the reaction mechanism from the E-R pathway on regular R-CeO2 to the L-H pathway on FLP-rich FR-CeO2, as corroborated by the experimental findings. The practical application of FLPs was realized by loading MoO3 onto FLP-rich FR-CeO2, leveraging the synergistic effects of acidic sites and FLPs. This study provides profound insights into how FLPs facilitate N-H/N-O bond activation in small molecules, such as NH3 and NO, offering a new paradigm for catalyst design based on catalytic mechanism research.

Role of electrons and H* in electrocatalytic nitrate reduction to ammonium for CuNi alloy

Electrocatalytic reduction of nitrate (NO3-) to ammonium (NH4+) is an environment friendly approach for treating nitrogen-containing wastewater. Consequently, electrocatalysts capable of effectively and selectively reducing NO3- to NH4+ receives growing attention. However, Cu-based catalysts demonstrate limited efficiency and the drawback of generating toxic NO2- though it is prevalent in the field of electrocatalytic reduction of NO3- (NO3RR). In this work, a CuNi alloy was synthesized on a Co foil through electrodeposition (marked as CuNi@Co) and its electrocatalytic performance for NO3RR was evaluated. XRD, EDS mapping and XPS characterization indicate CuNi exists with alloy state. Electrocatalytic experiments demonstrate that CuNi@Co exhibits an exceptional FENH3 of 99.12% at -0.64 V (vs. RHE). Importantly, no detrimental NO2- generated during NO3RR process because the reduction rate from NO2- to NH4+ is faster than that from NO3- to NO2-. Mechanistic analysis suggests that Cu serves as a ‘reservoir’ to provide electrons to facilitate the reduction of NO3- to NO2- during NO3RR process and the synergistic effect of Ni and Cu promotes more active hydrogen (H*) to participate the reduction process of NO2- to NH4+ not H2 generation, ultimately improving FENH3. This work elucidates the role of electrons and H* in electrocatalytic nitrate reduction to ammonium for CuNi alloy, providing new insights into the reduction process of NO3RR for Cu-based materials.

Theoretical investigation of graphdiyne-supported single-cluster catalysts for electroreduction of nitric oxide

The electrochemical NO reduction reaction (NORR) to NH3 offers an efficient, environmentally friendly strategy for NO removal and NH3 production, but developing effective catalysts to facilitate the conversion of NO into NH3 remains a challenge. Single-cluster catalysts (SCCs) with multi-metallic sites show promise due to the synergistic interactions among the active atoms. Herein, utilizing density functional theory (DFT) and grand-canonical DFT (GC-DFT), we systematically investigated the potential of late transition metal (TM = Fe, Co, Ni, Cu, Ru, Rh, Pd, Pt) clusters on graphdiyne (TMx/GDY, x = 1–5) for NORR. Ni3/GDY, Pd3/GDY, and Pt3/GDY emerged as the most promising candidates, demonstrating stability, excellent NORR activity, and HER suppression. Their outstanding performance is attributed to the moderate adsorption of NO, with the dxz/dyz orbitals playing a key role in NO activation. GC-DFT results highlight nonlinear variation of intermediate grand free energies with the applied potential. Detailed electronic property analyses were conducted to reveal the charge effects induced by the applied chemical potential. This study provides valuable insights into SCC-catalyzed NO reduction and highlights the significance of potential effects in theoretical simulations of electrochemical systems.

Regulating Local Electron Distribution of Cu Electrocatalyst via Boron Doping for Boosting Rapid Absorption and Conversion of Nitrate to Ammonia

AbstractThe electrochemical reduction of nitrate to ammonia (NO3RR) is an effective route to ammonia synthesis with the characteristics of low energy input. However, the complex multi‐electron/proton transfer pathways associated with this reaction may trigger the accumulation of competitive by‐products. Herein, boron (B)‐doped Cu electrode (denoted as B–Cu2O/Cu/CP) as “all‐in‐one” catalyst is prepared by one‐step electrodeposition strategy. Caused by the B doping, the charge redistribution and local coordination environment of Cu2O/Cu species are modulated, resulting in the exposure of active sites on the Cu2O/Cu/CP catalyst. In‐situ Fourier transform infrared spectroscopy and theoretical investigations demonstrate that both Cu2O and Cu sites modulated by B can effectively enhance the adsorption of NO3− and facilitate the conversion of intermediate by‐products, thus promoting the direct reduction of NO3− to NH3. Consequently, a remarkable Faradaic efficiency of 92.74% can be obtained on B–Cu2O/Cu/CP catalyst with minimal accumulation of by‐products. It is expected that this work, based on the heterogeneous B doping, will open a maneuverable and versatile way for the design of effective catalysts.

Metal–Support Interaction between Pd Oxide and YCoO3 Effective for NO Reduction with CO and C3H6

Metal–Support Interaction between Pd Oxide and YCoO₃ Effective for NO Reduction with CO and C₃H₆

Research on the effect of CO2 and H2O on NO reduction of biomass char by the equivalent characteristic spectrum method via an on-line mass spectrometer

Despite extensive experimental studies on NO reduction by biomass char, the impact of high concentrations of CO2 and H2O on the NO-char reaction remains insufficiently understood. This study investigates the effects of CO2, H2O, and CO2+H2O atmospheres on NO reduction by biomass char in a micro-fluidized bed (MFB). Experiments were conducted at 900 °C, with CO2 concentrations ranging from 20 % to 80 % and H2O concentrations from 10 % to 40 %. The results show that increasing concentrations of CO2 and H2O accelerate the NO reduction rate. However, under high CO2 and H2O concentrations, both the maximum NO reduction efficiency and the mass consumption of nitrogen decrease. In a CO2 atmosphere, nearly all nitrogen from NO converts to N2, but this conversion efficiency declines in the presence of H2O. When both CO2 and H2O are present, H2O predominantly governs the NO consumption rate. Additionally, the apparent activation energy for NO reduction is higher in an H2O atmosphere compared to a CO2 atmosphere at similar concentrations.

Catalytic functionalization of MCM-41 and MCM-48 with copper by modified template ion-exchange method for low-temperature NH3-SCR process: the role of complexing agents for copper dispersion

Mesoporous silicas of MCM-41 and MCM-48 types were synthesized and modified with copper by template ion-exchange (TIE) technique. A high dispersion of deposited copper species was managed by subsequent treatment of the samples with ammonia, urea, or acetonitrile solution. Copper-modified silicas were analysed in terms of their chemical composition (ICP-OES), ordering of porous structure (XRD), textural parameters (low-temperature N2 sorption), dispersion and form of introduced copper species (UV–vis-DR, XRD, H2-TPR, NH3-TPD). Mesoporous silicas modified with copper exhibited promising catalytic efficiency in selective catalytic reduction of NO with ammonia (NH3-SCR). The samples containing dispersed copper species (predominantly monomeric copper cations) presented enhanced catalytic activity compared to catalysts containing CuO aggregates. On the other hand, CuO aggregates showed greater catalytic activity in the side process of direct ammonia oxidation by oxygen present in the reaction mixture. It was demonstrated that TIE post-treatment of the samples with urea resulted in most effective improving dispersion of deposited copper and is less destructive for ordered porous structures of mesoporous silica comparing to treatment with ammonia solution.Graphical abstract

Impact of freeze-thaw cycles and influent C/N ratios on N2O emissions in subsurface wastewater infiltration systems

Subsurface wastewater infiltration system (SWIS) is important source of N2O emission, biological denitrification process relies on organic carbon source as electron donor, enabling denitrifying reductase (NAR, NIR, NOR, and N2OR) to reduce nitrate nitrogen to N2. However, freeze-thaw cycles cause changes in soil structure through physical and biological processes that increase organic matter availability and microbial activity, thereby accelerating upper (aerobic) organic matter degradation. This leads to carbon deficiency in the lower (anaerobic) layer, which reduces denitrification efficiency increasing N2O production and emissions. This study investigated effects of influent C/N ratios on N2O emissions from SWIS under freeze-thaw stress, and changes in denitrifying reductase and microbial communities. Results showed that as influent C/N ratio increased from 6:1–10:1, average TN removal of SWIS decreased from 89.59 % to 84.95 %, while N2O emission rate decreased from 0.106 mg·m−2·h−1 to 0.0333 mg·m−2·h−1, a reduction of 68.61 %. Meanwhile, N2OR activity increased by 29.95 % with C/N ratio increasing from 6 to 10, showing a significant reduction of N2O. High-throughput sequencing results revealed that Proteobacteria and Firmicutes showed a linear relationship with influent C/N. As C/N increased from 6 to 8 and 10, Proteobacteria relative abundance increased from 22.24 % ± 1.79–32.51 % ± 2.51 % and 39.59 % ± 3.45 %, while Firmicutes relative abundance decreased from 31.73 % ± 7.87–3.34 % ± 0.27 % and 2.19 % ± 0.07 %. These results indicated that sufficient supply of organic carbon provided abundant electron donors for denitrifying reductases in freeze-thaw-affected SWIS, promoting influent NO3--N reduction and decreasing N2O release rates. Conversely, under low C/N ratio conditions, electron acceptance capacity of N2OR was limited and N2OR activity was inhibited, resulting in N2O accumulation and emission. SynopsisThis paper shows how increasing the organic carbon supply in SWIS can reduce N2O emissions and improve nitrogen removal under freeze-thaw stress.

Influence of Acetylene Concentration on N2O and N2 Emissions from an Intensive Vegetable Soil under Anoxic and Oxic Conditions

Acetylene (C2H2) is often employed to assess soil total denitrification (N2O + N2) due to its ease of implementation. However, this technique underestimates soil denitrification in soils with low nutrient contents, particularly those supporting grain yields. To our knowledge, there are limited studies that have specifically investigated the impact of C2H2 on nutrient-rich vegetable soils, especially concerning the emissions of N2 and N2O and the nitrogenous gas product ratio (i.e., N2O/(N2O + N2)). In this study, we conducted both anoxic and oxic incubations at various C2H2 concentrations (0%, 0.01%, and 10%, v/v) and utilized a robotized sampling and analysis system to quantify soil N2, N2O, and CO2 emissions. Our findings revealed that the cumulative N2O production in soil treated with 10%C2H2 was significantly lower than that in soil treated with 0.01%C2H2 and soil without C2H2. Contrarily, high concentrations of C2H2 (10%, v/v) led to increased N2 production. Similar trends were observed under oxic conditions, where 10%C2H2 concentration did not enhance N2O production but markedly increased N2 and CO2 emissions. Moreover, the N2O/(N2O + N2) product ratio was notably higher in soils treated with 0%C2H2 compared to the 10%C2H2 treatment under anoxic conditions. These findings indicate that high concentrations of acetylene could facilitate the reduction of N2O to N2 and lead to underestimated soil total denitrification in vegetable soil, regardless of anoxic or oxic conditions. This discovery underscores the drawbacks when employing high concentrations of acetylene to evaluate actual total denitrification in intensive greenhouse vegetable soils, highlighting the necessity for further investigation into alternative methodologies.

Electrocatalytic nitrite conversion to ammonia over Mn single atoms anchored on MoO3-x

Electrocatalytic reduction of NO2 to NH3 (NO2RR) offers a promising route to attain harmful NO2– removal and valuable NH3 production. Herein, Mn single atoms anchored on oxygen vacancy-rich MoO3-x (Mn1/MoO3-x) are developed as a high-performance catalyst for the NO2RR. Atom characterizations unravel that the isolated Mn atoms exist as Mn1-O5 moieties on MoO3-x. Theoretical calculations and in situ electrochemical spectroscopic measurements unveil that Mn1/MoO3-x follows a Langmuir-Hinshelwood mechanism to drive the NO2RR process, in which Mn1-O5 site facilitates the adsorption and activation of NO2– to form the intermediates, while MoO3-x substrate dissociates H2O to yield *H. The generated *H is then transferred from MoO3-x substrate to Mn1-O5 site which promotes the intermediate protonation to produce NH3. Remarkably, Mn1/MoO3-x in flow cell reaches the high NH3 yield rate of 546.25 μmol h−1 cm−2 and NH3-Faraday efficiency of 92.6 %, outperforming most reported NO2RR catalysts.

Revisit the role of hydroxylamine in sulfur-driven autotrophic denitrification

Through dedicated batch tests using the enriched sludge dominated by sulfur-oxidizing bacteria (SOB), the potential transformation of hydroxylamine (NH2OH) by SOB and the effects of NH2OH on the rate-limiting sequential reduction processes of sulfur-driven autotrophic denitrification (SDAD) were systematically explored in this study. The results indicated that NH2OH might be first converted to NO by SOB and then participate in the SDAD process, thus accelerating the utilization of S2- and contributing to the formation of N2O. Up to 3.5 mg-N/L NH2OH didn't affect the NO3- or NO2- reduction of SDAD, during which no significant changes were observed for the NH2OH concentration. Comparatively, even though NH2OH had no direct impact on the N2O reduction of SDAD, it could be consumed and therefore affect the depletion of N2O indirectly by regulating the toxic effect and electron supply of S2-. These findings provide novel implications for applying NH2OH to SDAD-based integrated processes for biological nitrogen removal.

Experimental and DFT Analysis To Anchor the Role of SO2 in the Heterogeneous NO Reduction over a Char Surface: SOx-Mediated Oxygen Rearrangement

Experimental and DFT Analysis To Anchor the Role of SO₂ in the Heterogeneous NO Reduction over a Char Surface: SO_<i>x</i>-Mediated Oxygen Rearrangement