Surface Active Oxygen Species Research Articles

Photocatalytic toluene oxidation with nickel-mediated cascaded active units over Ni/Bi2WO6 monolayers

Adsorption and activation of C–H bonds by photocatalysts are crucial for the efficient conversion of C–H bonds to produce high-value chemicals. Nevertheless, the delivery of surface-active oxygen species for C–H bond oxygenation inevitably needs to overcome obstacles due to the separated active centers, which suppresses the catalytic efficiency. Herein, Ni dopants are introduced into a monolayer Bi2WO6 to create cascaded active units consisting of unsaturated W atoms and Bi/O frustrated Lewis pairs. Experimental characterizations and density functional theory calculations reveal that these special sites can establish an efficient and controllable C–H bond oxidation process. The activated oxygen species on unsaturated W are readily transferred to the Bi/O sites for C–H bond oxygenation. The catalyst with a Ni mass fraction of 1.8% exhibits excellent toluene conversion rates and high selectivity towards benzaldehyde. This study presents a fascinating strategy for toluene oxidation through the design of efficient cascaded active units.

Investigation of catalytic methane oxidation over Ag/Co2MOx (M = Co, Ni, Cu) catalysts with varying interfacial electron transfer

Atom-doped Co3O4 catalysts loaded with Ag were examined as cost-effective catalysts for methane oxidation. The synthesized Ag/Co2NiOx catalysts exhibited distinctive surface characteristics in contrast with Ag/Co3O4 and Ag/Co2CuOx catalysts prepared using a similar method. Characterization results unveiled that Ag/Co2NiOx featured a higher presence of active surface oxygen species, lattice defects, a larger surface area, and enhanced reducibility. A methane oxidation catalytic performance followed the sequence: Ag/Co2NiOx > Ag/Co3O4 > Ag/Co2CuOx. The investigation delved into methane degradation pathways on the surfaces of three catalysts, examining their behavior under both aerobic and anaerobic atmospheres through in-situ DRIFTS analysis. Furthermore, introducing Ag showed a marked positive effect on Co-Ni mixed oxide, inducing electron transfer and a more active electron system, whereas it exhibited an inverse impact within the surface of Co-Cu mixed oxide. This work provides innovative perspectives on the development of forthcoming environmental catalysts.

High-temperature calcination dramatically promotes the activity of Cs/Co/Ce-Sn catalyst for soot oxidation

Catalytic oxidation of soot is of great importance for emission control on diesel vehicles. In this work, a highly active Cs/Co/Ce-Sn catalyst was investigated for soot oxidation, and it was unexpectedly found that high-temperature calcination greatly improved the activity of the catalyst. When the calcination temperature was increased from 500 °C to 750 °C, T50 decreased from 456.9 °C to 389.8 °C in a NO/O2/H2O/N2 atmosphere. Characterization results revealed that high-temperature calcination can promote the ability to transfer negative charge density from Cs to other metal cations in Cs/Co/Ce-Sn, which will facilitate the production of more oxygen defects and the generation of more surface-active oxygen species. Surface-active oxygen species are beneficial to the oxidation of NO to NO2, leading to the high yield of NO2 exploitation. Therefore, the Cs/Co/Ce-Sn catalyst calcined at 750 °C demonstrated higher activity than that calcined at 500 °C. This work provides a pathway to prepare high efficiency catalysts for the removal of soot and significant insight into the effects of calcination on soot oxidation catalysts.

Unravelling the synergistic effects in GdCe composite oxides supported biochar catalysts for formaldehyde elimination: Elevated performance and SO2 toleration

A chain of GdCe oxides boosted biochars derived from maize straw and sewage sludge (GdyCe1-y/MPBs) were fabricated for formaldehyde (HCHO) catalytic decomposition. The ingenerate relationship between the abatement performance and corresponding structural feature was comprehensively evaluated by XPS, in situ DRIFTS, BET, XRD, SEM and H2-TPR. Meanwhile, 10%Gd0.25Ce0.75/MPB exhibited excellent performance, favorable SO2 and moisture toleration over a broad temperature range from 160 to 320 ℃, where it achieved 96.8% removal efficiency with 90.5 % selectivity at 200 ℃. The single or united effects of O2, SO2, H2O on HCHO abatement over 10 %Gd0.25Ce0.75/MPB were tested, and the findings demonstrated that the suppressive effects of SO2 and H2O outweighed the promoting influence of O2 within a specific range. Gd and Ce co-modified MPB revealed superior HCHO removal capability in contrast to that of Gd or Ce severally modified MPB, ascribing to the synergistic effect of GdOx and CeOx and benefitting from the augmentation of surface area and total pore volume, the aggrandizement of surface active oxygen species, the promotion of redox ability and the inhibition crystallization of CeOx. According to in situ DRIFTS, a series of intermediates including formate species and dioxymethylene (DOM) were produced, which would eventually decompose into H2O and CO2. In addition, the mass transfer and diffusion of the reactants along with the accessibility of the catalytic sites were enlarged by the hierarchical porous structure of the support, which were also answerable for its distinguished catalytic performance. Furthermore, 10%Gd0.25Ce0.75/MPB possessed remarkable potential for industrial applications.

Effect of Interaction between Pt and Different Crystalline Phases of TiO2 on Benzene Oxidation

To evaluate the effects of different TiO2 crystalline phases on the catalytic oxidation performance of benzene on Pt-loaded TiO2 catalysts, physicochemical examinations were conducted using several spectroscopic and analytical techniques. Obvious effects on the valence state and morphology of Pt were exhibited by different crystalline phases. The rutile phase favored the formation of specific Pt(111) crystal faces, which enhanced the amount of surface-active oxygen species. Moreover, the àPt-O-Ti species was formed between Pt4+ and Ti at the edge of the Pt nanoparticles, promoting both electron flow and the transfer of reactive oxygen species, thus accounting for catalytic activity.

Catalytic oxidation of formaldehyde by MnOx-decorated anatase TiO2{001}: Investigation of the effect of calcination temperature on catalytic activity and reaction mechanism

The removal of indoor formaldehyde (HCHO) is crucial for human health. The design of highly catalytically active nonprecious metal catalysts has major challenges, and the use of transition metal element modification to improve the catalytic performance is an effective strategy. In this study, the active component Mn was loaded on highly active crystalline anatase TiO2{001}, and the effect of the calcination temperature on the catalytic activity was investigated. The important influence of temperature on the catalyst valence distribution, surface active oxygen species, and content was thoroughly determined by characterization techniques, such as XPS, H2-TPR, and O2-TPD. The catalytic reaction process was further analyzed by in situ infrared technology to determine the reaction intermediates and to clarify the catalyst reaction poisoning mechanism; additionally, a reasonable HCHO catalytic reaction pathway was proposed with the combination of density function theory calculations. In addition, oxygen defects on the catalyst surface were determined by EPR, and based on theoretical calculations, the oxygen defects could further reduce the reaction energy barrier through the Langmuir-Hinshelwood mechanism. By exposing specific crystal surfaces and increasing the number of oxygen defects, the catalytic activity could be effectively improved; based on these results, our study provides a concept for the subsequent development of nonprecious metal catalysts.

MOF-derived FeOx with highly dispersed active sites as an efficient catalyst for enchaning catalytic oxidation of VOCs

Highly efficient and stable catalysts serve as the crucial factor in VOCs catalytic oxidation technology. Iron-based materials are recognized as potential VOCs catalysts due to their cost-effectiveness and non-toxic nature. However, the limited catalytic performance of traditional iron oxide catalysts hinders their further industrial applications. A series of FeOx catalysts were synthesized via pyrolysis of Fe-based MOFs with diverse morphologies for toluene catalytic oxidation. Characterization results demonstrated that the FeOx-100 catalyst performed optimal characteristics, including the abundant specific surface area and smaller crystallite size, which offered highly dispersed active sites and defects for toluene oxidation. The catalytic activity of FeOx-100 was improved by adjusting the precursors and pyrolysis conditions, achieving a 50% toluene conversion at 223 °C and 90% conversion at 249 °C. The redox abilities of FeOx catalysts were carefully evaluated to assess their impact on catalytic activity. The results confirmed that FeOx-100 exhibited superior low-temperature reducibility, remarkable presence of surface active oxygen and lattice oxygen species, jointly facilitating the toluene oxidation performance at lower temperatures. The results of in situ DRIFTS provided evidence supporting a degradation pathway for toluene, likely proceeding as follows: toluene→ benzaldehyde→ benzoate→ anhydride → …→ CO2 and H2O.

Exploring the role of oxygen species on β- and γ-MnO2 catalyst under in-plasma catalysis configuration at different temperature in CO oxidation using operando TPR-DRIFTS-MS

Catalyst surface active oxygen species have an important influence on plasma catalytic oxidation. However, the reaction process of CO and O3 migration and transformation on the catalyst surface during discharge at different temperature is still unclear. In this study, β- and γ-MnO2 are selected to unveil the roles of different oxygen species under in-plasma catalysis configuration at different temperature in CO oxidation. Operando TPR-DRIFTS-MS is used to reveal CO and O3 oxidation pathways. The results show that O3 can react with CO at room temperature, and O3 is also converted to other reactive oxygen species on the catalyst surface. As the temperature increases, the oxygen species of the catalyst itself (MnO and Mn-O-Mn) can react with CO to form oxygen vacancies (Mn-□-Mn and Mn=□). Mn-□-Mn are beneficial for O2 decomposition and promotes the regeneration of MnO and Mn-O-Mn. The carbonate covered on the surface of the catalyst is the rate-determining step of CO oxidation. It is hoped that Mn-based catalysts with more reactive oxygen species and oxygen defects will be prepared to facilitate low-temperature CO oxidation under plasma conditions.

Ca and Sr co-doping induced oxygen vacancies in 3DOM La2−xSrxCe2−yCayO7−δ catalysts for boosting low-temperature oxidative coupling of methane

It is urgent to develop catalysts with application potential for oxidative coupling of methane (OCM) at relatively lower temperature. Herein, three-dimensional ordered macroporous (3DOM) La2−xSrxCe2−yCayO7−δ (A2B2O7-type) catalysts with disordered defective cubic fluorite phased structure were successfully prepared by a colloidal crystal template method. 3DOM structure promotes the accessibility of the gaseous reactants (O2 and CH4) to the active sites. The co-doping of Ca and Sr ions in La2−xSrxCe2−yCayO7−δ catalysts improved the formation of oxygen vacancies, thereby leading to increased density of surface-active oxygen species (O2−) for the activation of CH4 and the formation of C2 products (C2H6 and C2H4). 3DOM La2−xSrxCe2−yCayO7−δ catalysts exhibit high catalytic activity for OCM at low temperature. 3DOM La1.7Sr0.3Ce1.7Ca0.3O7−δ catalyst with the highest density of O2− species exhibited the highest catalytic activity for low-temperature OCM, i.e., its CH4 conversion, selectivity and yield of C2 products at 650 °C are 32.2%, 66.1% and 21.3%, respectively. The mechanism was proposed that the increase in surface oxygen vacancies induced by the co-doping of Ca and Sr ions boosts the key step of CH bond breaking and CC bond coupling in catalyzing low-temperature OCM. It is meaningful for the development of the low-temperature and high-efficient catalysts for OCM reaction in practical application.

Hydroxy and surface oxygen effects on 5-hydroxymethylfurfural oxidation to 2,5-furandicarboxylic acid on β-MnO2: DFT, microkinetic and experiment studies.

Manganese dioxide, β-MnO2, has shown potential in catalyzing the oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA), a monomer of bioplastic polyethylene furanoate (PEF). Herein, the insight into the hydroxy (OH) and surface oxygen effects on the HMF-to-FDCA reaction over β-MnO2 is clarified through a comprehensive investigation using density functional theory (DFT) calculations, microkinetic modeling, and experiment. Theoretical analyses revealed that both active surface oxygen and OH species (from either base or solvent) facilitate C-H bond breaking and OH insertion, promoting the catalytic activity of β-MnO2. Microkinetic modeling demonstrated that the FFCA-to-FDCA and DFF-to-FFCA steps are the rate-limiting steps of the hydroxylated and non-hydroxylated surfaces, respectively. These theoretical results agree well with the experiment when water and dimethyl sulfoxide (DMSO) were used as solvents. In addition, the synthesized β-MnO2 catalyst showed high stability and activity, maintaining stable HMF conversion (≥99 mol%) and high FDCA yield (85-92 mol%) during continuous flow oxidation for 72 hours at pO2 of 1 MPa, 393 K and LHSV of 1 h-1. Thus, considering both hydroxy and surface oxygen species is a new strategy for enhancing the catalytic activity of Mn oxides and other metal oxide catalysts for the HMF-to-FDCA reaction.

Doping SnO2 with metal ions of varying valence states: discerning the importance of active surface oxygen species vs. acid sites for C3H8 and CO oxidation.

To elucidate the valence state effect of doping cations, Li+, Mg2+, Cr3+, Zr4+ and Nb5+ with radii similar to Sn4+ (CN = 6) were chosen to dope tetragonal SnO2. Cr3+, Zr4+ and Nb5+ can enter the SnO2 lattice to produce solid solutions, thus creating more surface defects. However, Li+ and Mg2+ can only stay on the SnO2 surface as nitrates, thus suppressing the surface defects. The rich surface defects facilitate the generation of active O2-/Oδ- and acid sites on the solid solution catalysts, hence improving the reactivity. On the solid solution catalysts active for propane combustion, several reactive intermediates can be formed, but are negligible on those with low activity. It is confirmed that for propane combustion, surface acid sites play a more vital role than active oxygen sites. Nevertheless, for CO oxidation, the active oxygen sites play a more vital role than the acid sites.

Boosting propane combustion over Pt/WO3 catalyst by activating interface oxygen species

Surface active oxygen species in heterogeneous catalyst material is very vital for driving catalytic volatile organic compounds (VOCs) oxidation, but it still remains challenging to effectively modulate such active oxygen species. Herein, the interfacial oxygen species in Pt/WO3 catalyst is conveniently activated by a heating treatment under nitrogen flow. The obtain Pt/WO3-N2-T (T = 200, 400, 600, represents the calcination temperature) shows much superior catalytic activity than the bare Pt/WO3 catalyst, particularly for the Pt/WO3-N2-400 catalyst with T95 of only 250 °C (T95 of Pt/WO3 = 350 °C). The changes of catalyst structure during heating treatment in nitrogen flow contributes to the improved activity, including re-dispersed WO3 support and Pt nanoparticles. More importantly, the surface oxygen species in the Pt/WO3-N2-400 catalyst is more active than that of the bare Pt/WO3 catalyst, which is generated by removing hydroxyl groups and its residual oxygen species activated by nearby Pt species. These novel findings provide the strategy to rationally activate surface oxygen in the heterogeneous catalyst materials for catalytic oxidation reaction.

Promotion of Rh-based La2Zr2O7 type catalysts with the transition metals to improve sulfur-tolerance in diesel reforming

Several Rh-based La2Zr2O7 type catalysts promoted by the transition metals (Mn, Fe, and Co respectively) were synthesized and used to reform n-hexadecane (a diesel surrogate) that contains 50 ppm dibenzothiophene for hydrogen production. Compared to Co-LaZrRh and Mn-LaZrRh, the Fe-LaZrRh catalyst exhibited the best hydrogen extraction capability and sulfur tolerance. This is probably due to the introduction of Fe, which not only enhances the Rh dispersion, but also facilitates the formation of electron-deficient Rh sites and the generation of oxygen vacancies. Additionally, electron-deficient Rh sites can hinder the formation of an irreversible sulfur-metal bond, thus resulting in better sulfur tolerance and thermal stability. Finally, the generated oxygen vacancies may also activate steam to form surface active oxygen species, which help remove the deposited carbon on the catalyst surface. In summary, the developed Fe-LaZrRh catalyst performed the best in the steam reforming of n-hexadecane containing 50 ppm sulfur, which deserves further exploration for future applications.

Oxygen adsorption capability and electrochemical properties induced by oxygen vacancies in cerium-doped LaFeO3 perovskite oxide

The effect of Ce doping on the electrochemical properties of LaFeO3 perovskite oxides was investigated in terms of the oxygen adsorption capability and polarization resistance. The Ce-doped LaFeO3 perovskite oxide had a single perovskite phase with an orthorhombic structure. The presence of oxygen vacancies was confirmed by EPR spectra and O 1 s core-level spectra. An O2 temperature-programmed desorption profile demonstrated an increase in the quantity of surface-active oxygen species, with LCFO5 exhibiting the highest oxygen adsorption capability. The area-specific resistance gradually decreased with the cerium doping from 11.36 Ωcm2 (LFO) to 4.65 Ω cm2 (LCFO5). A notable decrease of 68 % was confirmed in the polarization resistance related to the mass transfer, from 7.66 Ωcm2 (LFO) to 2.44 Ωcm2 (LCFO5). This significant decrease indicates an enhanced oxygen reduction reaction activity, which is attributed to the accelerated oxygen adsorption reaction.

An Experimental and Density Functional Theory Simulation Study of NO Reduction Mechanisms over Fe0 Supported on Graphene with and without CO.

NO reduction over highly dispersed zerovalent iron (Fe0) supported on graphene (G), with and without the presence of CO in the reacting stream, was systematically studied using a fixed-bed reactor, and the reaction mechanism was examined with the aid of in situ Fourier transform infrared (FTIR) spectroscopy and density functional theory (DFT) calculations. The in situ FTIR results showed that NO adsorbed on the Fe0 site is reduced to form active surface oxygen species (O*), which is then reduced by carbon in graphene to form CO2. The presence of CO in the reacting stream helps to reduce the oxidized Fe(O) sites to regenerate Fe0 sites, making NO reduction easier. It was revealed that NO and CO2 are easily adsorbed on the active surface oxygen species (O*) to form nitrate and carbonate, inhibiting their reduction by CO and deactivating the catalyst. The DFT calculations results suggest that the role of Fe is to reduce the energy barrier of the NO adsorption and decomposition, which controls the formation of active surface oxygen species and N2. The combined FTIR and DFT results offer new insights into the possible mechanism of catalytic NO reduction over graphene loaded with Fe, with and without CO.

Facile synthesis of highly dispersed Ir/LaFeO3 catalysts for propene total oxidation

A series of Ir/LaFeO3 catalysts calcined at 300–600 °C were synthesized by a solvent-free method and tested for propene total oxidation. Various characterizations depicted that iridium was well-dispersed on LaFeO3 with no detectable iridium-related particles or aggregates. The loading of iridium hardly changed the structural and textural properties of LaFeO3, but greatly enhanced the low-temperature reducibility and oxygen mobility, leading to superior propene oxidation activity. For Ir/LaFeO3 series, the catalytic activity decreased as the calcination temperature increased, due to the declined reducibility and active oxygen species content. Ir/LaFeO3-300 was demonstrated to be the optimal catalyst with the best propene oxidation performance (T90 = 246 °C), excellent long-term stability, and decent water-resistance. Treating Ir/LaFeO3-300 in a reducing atmosphere further improved its catalytic performance by enhancing low-temperature reducibility and increasing surface-active oxygen species. Overall, this study provides insights into the synthesis of highly efficient and stable iridium-based catalysts for VOCs oxidation.

Insights into the catalytic performance of LDHs-derived CoAlO oxides with different anions intercalation for propane total oxidation

Constructing effective and stable non-noble metal catalysts is of great significance and prospect for catalytic oxidation of stable light alkanes at low temperature. Herein, the CoAlO oxide catalysts derived from the CoAl layered double hydroxides (LDHs) intercalated with CO32–, CH3COO– (Ac), SO42-, NO3– and citrate (CA) anions were prepared, and their catalytic performances for propane oxidation were investigated. Among all CoAlO catalysts, the CoAlO-Ac-3 catalyst (CH3COO– anion intercalation) exhibited better catalytic activity for propane oxidation (T90 = 300 °C), with the highest reaction rate (2.79 × 10-7 mol g−1 s−1) and TOF value (0.13 × 10-3 s−1) at 240 °C. Characterization results revealed that the interlayer anions affected the valence distribution of metals and surface active oxygen species, and CH3COO– anion intercalation CoAlO-Ac catalyst showed the highest Co3+/Co2+ molar ratio and active oxygen species. Combining with Raman and in-situ DRIFTS results, the lattice distortion of catalyst caused by the interlayer anions promoted the migration of active oxygen species, thus accelerating the propane adsorption and activation. Meanwhile, CoAlO-Ac-3 catalyst exhibited excellent stability and water resistance for propane oxidation.

Arsenic removal from coal-fired flue gas by metal oxides modified wood chips coke: Experimental and DFT study

Coal-fired power plant is one of the main anthropogenic arsenic emission sources, where gaseous As2O3 is the main form in the flue gas to the atmosphere. In this work, a series of metal salt impregnated wood chips coke (Me-BC) were developed for As2O3 removal from flue gas, which selected BC with low cost and high arsenic removal potential as the carrier and modified by metal nitrate through impregnation and pyrolysis to load active components. The results indicate that As2O3 removal performance of the Me-BC obeys Fe-BC-0.15 > BC > Al-BC-0.15 > Ca-BC-0.15 > K-BC-0.15 under the basic flue gas composition (N2 + O2 + CO2) at 150℃, with the highest As2O3 removal capacity (141.5 μg/g) and efficiency (92.9%) for Fe-BC-0.15 compared to 92.4 μg/g, 60.7% of the BC. The arsenic removal ability of Fe-BC firstly increases and then decreases as Fe(NO3)3 impregnation concentration increases with its maximum value at 0.15 mol/L. Generally, the NO has a significant inhibitory effect on the arsenic removal of Fe-BC-0.15 due to consumption of surface active oxygen species by or the competitive adsorption between NO and As2O3. Low-concentration SO2 complete with As2O3 for the adsorption on active sites while high-concentration SO2 will promote SO3 and Oβ formation which benefits for As2O3 capture. Overall, Oɑ and Oβ and C-O play an important promoting role in the arsenic removal by adsorbents. DFT calculations indicates that C-O have strongest adsorption energy for As2O3 among oxygen-containing functional groups. The adsorption of SO2 and NO on naked BC and BC-O is easier than As2O3. Both Fe2O3 and BC play an important role in the arsenic removal process by Fe-BC-0.15.

Elemental mercury removal over MnOx-CoOx-modified HZSM-5 adsorbents: Performance and characterizations

In this study, MnOx-CoOx-modified HZSM-5 sorbents were prepared via the ultrasound-assisted impregnation method for Hg0 removal from the coal-fired flue gas. With the introduction of MnOx-CoOx, the Hg0 removal performance exhibited an increasing trend. Given that the mass content of MnOx-CoOx and the molar ratio of Mn/Co were fixed to 12 wt% and 1:3, the sorbent exhibited a relatively high Hg0 removal efficiency of 81% at 150 °C. Compared to virgin MnOx- or CoOx-modified HZSM-5 sorbent, the synergistic effect between MnOx and CoOx generated abundant surface acid sites and active oxygen species, which facilitated the adsorption of Hg0 and accelerated the oxidation of the adsorbed Hg0. Throughout the Hg0 capture cycles, Mn4+ and Co3+ acted as the active sites with HgO being the end product. Among the various gas constitutes, both O2 and NO demonstrated promotional effect on Hg0 removal, while SO2 interfered with the reaction to some degree. With the co-introduction of NO and SO2, an Hg0 removal efficiency of ∼94% was attained. Given its excellent recyclability, this sorbent system shows promising application potential.

Excellent Performance and Feasible Mechanism of ErOx-Boosted MnOx-Modified Biochars Derived from Sewage Sludge and Rice Straw for Formaldehyde Elimination: In Situ DRIFTS and DFT

To avoid resource waste and environmental pollution, a chain of ErOx-boosted MnOx-modified biochars derived from rice straw and sewage sludge (EryMn1-y/BACs, where biochars derived from rice straw and sewage sludge were defined as BACs) were manufactured for formaldehyde (HCHO) elimination. The optimal 15%Er0.5Mn0.5/BAC achieved a 97.2% HCHO removal efficiency at 220 °C and exhibited favorable EHCHO and thermal stability in a wide temperature window between 180 and 380 °C. The curbed influences of H2O and SO2 offset the boosting effect of O2 in a certain range. Er–Mn bimetallic-modified BACs offered a superior HCHO removal performance compared with that of BACs boosted using Er or Mn separately, owing to the synergistic effect of ErOx and MnOx conducive to improving the samples’ total pore volume and surface area, surface active oxygen species, promoting redox ability, and inhibiting the crystallization of MnOx. Moreover, the support’s hierarchical porous structure not only expedited the diffusion and mass transfer of reactants and their products but also elevated the approachability of adsorption and catalytic sites. Notably, these prominent features were partly responsible for the outstanding performance and excellent tolerance to H2O and SO2. Using in situ DRIFTS characterization analysis, it could be inferred that the removal process of HCHO was HCHOad → dioxymethylene (DOM) → formate species → CO2 + H2O, further enhanced with reactive oxygen species. The DFT calculation once again proved the removal process of HCHO and the strengthening effect of Er doping. Furthermore, the optimal catalytic performance of 15%Er0.5Mn0.5/BAC demonstrated its vast potential for practical applications.