Catalytic Activity Stability Research Articles

A New Strategy for Photo‐Electrochemical Reduction of Carbon Dioxide Using a Carbazole‐BODIPY Based Metal‐Free Catalyst

AbstractIn this study, a cross‐linked boron dipyrromethene (BODIPY) photocatalyst containing a carbazole donor group designed for photoelectrocatalytic carbon dioxide (CO2) reduction is synthesized and characterized. The BODIPY‐based system, coated onto a platinum surface, is evaluated for its electrochemical and photocatalytic performance under light illumination. Cyclic voltammetry (CV) and chronoamperometry measurements reveals enhanced photocurrent responses, confirming the catalyst's ability to effectively drive CO2 reduction. Gas chromatography/mass spectrometry (GC‐MS) analysis identifies the formation of ethanol (C2H5OH) as a major reaction product, showing that its yield increased with extended reaction times. Additionally, the photocatalyst demonstrates remarkable performance with significantly increasing turnover numbers (TON) and turnover frequencies (TOF) over time, indicating stable and sustained catalytic activity. With a Faradaic efficiency of 34.79% at a potential of ‐1.15 V, this BODIPY system exhibits both high activity and long‐term stability. The combination of efficient electron transfer and visible light absorption by the carbazole‐BODIPY donor‐acceptor structure positions this system as a highly promising candidate for sustainable CO2 conversion applications.

Selective CO2 hydrogenation to methanol over a novel ternary In-Co-Zr catalyst

To address the challenges of global warming and energy shortages, the technology to convert CO2 into methanol is of great significance Indium-cobalt catalysts have attracted widespread attention due to their significant activity and excellent stability. Herein, In-Co and In-Co-Zr catalyst rich in In2O3 were prepared through a citric acid-assisted co-precipitation method. The results show that the In-Co-Zr catalyst can significantly enhance the activity for hydrogenating CO2 to methanol, achieving a CO2 conversion rate of 17.4 % and a methanol selectivity of 77.7 % under the conditions (5.0 MPa, 310 °C, GHSV = 10.28 l·gcat-1·h-1, H2/CO2 ratio of 4). At a GHSV of 48 l·gcat-1·h-1, the space–time yield of methanol was 0.79 gMeOH·gcat-1·h-1, and the catalyst exhibited stable catalytic activity over a continuous reaction period of 120 h. It was revealed that the incorporation of ZrO2 could significantly improve methanol selectivity of In-Co catalyst. Moreover, an increased oxygen vacancy and strong interaction of the In-Co-Zr catalysts are conducive to improving the CO2 adsorption strength and capacity. It is expected that this novel ternary In-Co-Zr catalyst could inspire new opportunities for designing and developing multi-component hybrid catalysts for highly active, stable and selective CO2 hydrogenation to methanol

Construction of mesoporous lanthanum oxide and supported Co-N catalysts for high-efficient synthesis of furfuryl alcohol

The mesoporous lanthanum oxide materials were designed via the solvent evaporation-induced self-assembly method, and Co-N/La2O3 catalysts were prepared to evaluate performance in the reaction of furfural hydrogenation. The characterization analyses proved that Co/La2O3 and Co-2N/La2O3 catalysts had high specific surface area and open mesoporous channels (> 20nm), moreover doped nitrogen not only promoted the distribution of Co species and regulated size of metallic Co nanoparticles (~17.37nm), but also increased electron-rich Co0 (57.8%) and CoNx sites. The highest conversion (>99.9%) and selectivity (98.6%) were achieved on Co-2N/La2O3 catalyst under 140oC, 1.5MPa H2 and 3h, which was attributed to the combination of Co0 and CoNx sites enhancing the dissociation of H2 and adsorption of furfural by DFT calculation, meanwhile the doped nitrogen brought more acidic sites (~ 2.81mmol NH3/g) of Co-2N/La2O3 catalyst. Additionally, the Co-2N/La2O3 catalyst showed the stable catalytic activity for 5 recycles and excellent universality for hydrogenation reactions of biomass platform molecules.

Electrochemical CO2 reduction to syngas on copper mesh electrode: Alloying strategy for tuning syngas composition

Electrochemical CO2 reduction to synthetic fuels and commodity chemicals using renewable energy offers a promising approach to mitigate CO2 emissions and alleviate energy crisis. Copper-based catalysts show potential for electrochemical CO2 reduction applications, while they face the key challenges of high potential, sluggish kinetics, and poor selectivity. In this work, Cu-Zn, Cu-Co, Cu-Cd, and Cu-In bimetallic catalysts are synthesized via the electrodeposition method for electrochemical CO2 reduction to syngas with adjustable CO/H2 ratios. The bimetallic catalysts are characterized using various techniques to reveal their crystalline structures, morphologies, and elemental compositions. The structure-property-activity relationships of these catalysts are investigated to identify optimal candidates for electrochemical CO2 reduction applications. The findings reveal that the bare Cu mesh catalyst exhibits poor CO2 reduction activity, and the products are dominated by hydrogen evolution reaction (HER). The bimetallic catalysts exhibit improved CO2 reduction performance, with the Cu-Zn and Cu-Cd catalysts showing excellent activity, and the CO/H2 ratio in syngas can be tuned over a wide range by adjusting the applied potential. The Cu-Zn and Cu-Cd catalysts demonstrate outstanding performance with Faradic efficiencies of ∼90 % and ∼80 % towards syngas production with CO/H2 ratios of ∼2.0 and ∼1.5 at −0.81 and −1.01 V vs. RHE, respectively, making the produced syngas suitable for various industrial applications. Stability tests over 450 min show that the Cu-Zn and Cu-Cd catalysts maintain stable catalytic activity, syngas selectivity and CO/H2 ratio, making them robust candidates for syngas production. The results will provide valuable insights into the design of robust catalysts for electrochemical CO2 reduction, offering a promising path toward sustainable syngas production.

Dry Reforming of Methane on Low‐Loading Rh Catalysts

Dry reforming of methane (DRM) is a promising catalytic process for converting greenhouse gases (CH4 and CO2) into syngas (CO and H2). This study investigates DRM under moderate conditions (550 °C) using supported ultra‐low loading (0.05 wt%) metal (M) catalysts (M = Rh, Ru, Pt, Pd, Ir, Au, and Ni). The reaction was carried out for 6 h with a flow rate of 30 mL/min for both CH4 and CO2, using 0.10 g of catalyst. Among these catalysts, 0.05 wt% Rh/Al2O3 exhibited the highest DRM activity. The effect of catalyst supports revealed that Al2O3 is the most effective support for 0.05 wt% Rh. The DRM activity of Rh species supported on Al2O3 and SiO2 was compared, and the Rh species on Al2O3 outperformed those on SiO2, indicating Al2O3 enhances the DRM activity of Rh. When comparing the DRM activity of Rh nanoparticles and Rh single atoms, it was suggested that Rh nanoparticles might exhibit superior performance for DRM. Coke deposited on 0.05 wt% Rh/Al2O3 is removed by CO2, maintaining stable catalytic activity. These findings provide valuable insights into the design of catalysts that minimize the use of noble metals in DRM reactions.

Strong Metal–Support Interaction Induces Dual Reaction Sites for Ultrasensitive and Stable NO2 Detection in Extreme Environments

AbstractThe tripartite combination of a high density and stability of surface reaction sites, complemented by the longevity and efficient transfer of interface carriers, along with the effective adsorption and activation of target gas molecules, jointly determines the efficiency of chemiresistors. In this work, the strong metal–support interaction (SMSI) of Pt─Ce3+ is formed by the NaBH4 reduction method and thus prepares metal‐dynamically stable PtNR─CeO2 with Pt─Ce3+ and Pt─Pt reaction sites. The formation of SMSI induces the recombination of the chemical structure of the CeO2 surface causing the localization of electron‐rich Ce3+, which greatly increases the charge concentration at the interface. The experimental findings of the strong interaction of Pt─Ce3+ bonding and the catalytic effect of Pt optimized the adsorption mode of PtNR─CeO2 on target gas, which maintains stable catalytic activity at 20–500 °C and achieving a notable detection response value of 1.43 for 20 ppb NO2. This work offers fresh insights into designing stable oxide chemiresistors with efficiency and stability by customizing reaction sites at the atomic level.

Chromium oxide nanoparticles in‐situ immobilized onto nitrogen‐doped carbon plates with boosted catalytic activity toward nitrogen reduction reaction

AbstractA chromium oxide‐based nanocomposite (Cr2O3@NC) is designed and prepared via a simple pyrolysis route with Cr‐based metal organic framework (MOF) as a template. The research results indicate that Cr2O3 nanoparticles have an average size of ~70 nm and are in situ formed and imbedded onto the Cr‐based MOF‐derived 2D N‐doped carbon microplates. When employed as an inexpensive electrocatalyst for nitrogen reduction reaction (NRR) to synthesize ammonia, Cr2O3@NC demonstrates an improved and stable catalytic activity in comparison with bare Cr2O3. A large ammonia production rate of 29.42 μg mg−1cat h−1 under a lower potential of −0.4 V versus reversible hydrogen electrode (RHE) can be acquired with a Faradic efficiency of 9.89% in sodium sulphate solution. Additionally, a satisfactory selectivity can also be achieved without hydrazine byproduct. The greatly promoted catalytic activity of Cr2O3@NC is regarded to be concerned with its desirable structures such as 2D planar topological structure with expanded active surface area, abundant catalytic sites, and effective combination with conductive carbon.

MOR-to-MFI interzeolite transformations: Tuning of paired sites content towards the development of efficient MTH catalyst

Interzeolite transformation is a rapidly developing method of zeolite synthesis, which allows a precise design of the active site structure. We report on the application of MOR to MFI interzeolite transformation (IZT) for the preparation of MFI zeolite with variable content of paired sites and the elucidation of their role in the MTH reaction. IZT procedure involved hydrothermal treatment of the reaction mixture containing mordenite zeolite as a source of silica and alumina, alkali, TPAOH, TPABr and water. Tuning of paired sites was achieved by variation of the content of water and alkali in the reaction mixture and the application of seeding. The results demonstrate that IZT procedure allows to tune paired sites content within 10–65 % without affecting other characteristics of MFI products, such as Si/Al ratio, crystal size, texture, acid sites type, content and strength, as well as the amount of EFAL species and the distribution of aluminum between channels and intersections of the MFI structure. The evaluation of MOR-to-MFI zeolites with different paired sites content in the MTH reaction pointed to significant effect of paired sites on the stability of catalytic activity with time on stream and on the propylene/ethylene selectivity.

Dynamic Reconstruction of Yttrium Oxide-Stabilized Cobalt-Loaded Carbon-Based Catalysts During Thermal Ammonia Decomposition.

Hydrogen production from the decomposition of ammonia is considered an effective approach for addressing challenges associated with hydrogen storage and transportation. However, their relatively high energy consumption and low efficiency hinder practical multi-scenario applications. In this study, Y2O3-stabilized catalysts with Co-loaded onto porous nitrogen-doped carbon (Y2O3-Co/NC) are synthesized by pyrolysis of Y(NO3)3-modified ZIF-67 under an inert atmosphere, followed by annealing in a reducing environment. The introduction of Y2O3 enhanced the recombination and desorption of N atoms and facilitated the gradual dehydrogenation of NHx on the catalyst surface, resulting in improved catalytic activity for the thermal decomposition of ammonia. Benefitting from the electron-donating properties of Y2O3 and N-doped carbon, the optimized catalyst achieved a remarkable NH3 conversion efficiency of 92.3% at a high gas hourly space velocity of 20000 cm3· ·h-1 with an encouraging H2 production rate of 20.6 mmol· ·min-1 at 550°C. Moreover, the synthesized catalyst undergoes a fast-dynamic reconstruction process, resulting in exceptionally stable catalytic activity during the thermal decomposition of ammonia, rendering it a promising candidate for carbon-free energy thermocatalytic conversion technology.

Bifunctional 0D carbon quantum dot cathode electrocatalyst coupled with atomic hydrogen and hydroxyl radicals for efficient removal of oxytetracycline hydrochloride

Efficient removal of antibiotics is difficult to achieve by conventional single-oxidation or reduction processes. Herein, a bifunctional cathodic electrocatalyst coupling atomic hydrogen (H*) reduction with hydroxyl radical (·OH) oxidation in an efficient electrocatalytic process was developed for the effective degradation of oxytetracycline hydrochloride (OTC). Pd particles were dispersed on B-doped carbon quantum dots to prepare a Pd-B-doped carbon quantum dots/titanium (Pd-BCQD/Ti) electrode as a bifunctional cathode catalyst. The electrode can simultaneously generate H* through the H2O/H+ reduction process, H2O2 through the oxygen reduction process, and then generate ·OH. H* performs nucleophilic hydrogenation reduction of OTC molecules, and ·OH performs electrophilic oxidation of the carbon skeleton, and both act synergistically with the active chlorine species (HClO) generated at the anode. The experimental results showed that the electrode achieved 90.50 % removal of OTC within 60 min. In addition, the Pd-BCQD/Ti electrode reduces energy consumption while increasing current efficiency. The degradation effect was more than 85.80 % in the pH range of 3∼9, indicating fairly stable catalytic activity over a wide pH range. The degradation efficiency was basically unchanged after ten cycles, and the reactivity was still high in the actual water. Intermediates were analyzed based on LC-MS to explore the degradation pathways of OTC. The toxicity of the intermediates generated during OTC degradation was predicted based on quantitative conformational relationships. This study provides a feasible strategy for the preparation of bifunctional catalysts based on zero-dimensional BCQD for efficient green antibiotic wastewater treatment.

Utilizing MXene-mediated electron transfer pathway to boost peroxymonosulfate activation for water purification

Regulating the performance of manganese oxide catalysts to enhance peroxymonosulfate (PMS) activation for degrading emerging organic pollutants remains a significant challenge. To address this issue, Mn3O4/MXene composites with precisely controlled MXene contents are synthesized by combining hydrothermal and calcining methods, resulting in a significant regulate the pathway of Mn3O4 activation of PMS and a notable enhancement bisphenol A (BPA) degradation efficiency. The normalized first-order rate constant for optimized Mn3O4/MXene composites is 0.0218 g/(m2⋅min), which is 8.4 and 2.0 times higher than those of MXene and Mn3O4, respectively. Moreover, this catalyst exhibits excellent mineralization capacities, achieving up to 88.2 % total organic carbon removal efficiency. Combining with electrochemical and electron paramagnetic resonance analysis, the mechanism of electron transfer processes in this composite is elucidated comprehensively. Moreover, Mn3O4/MXene displays remarkable efficiency in degrading refractory pollutants, including antibiotics, phenols, and dyes. Furthermore, Mn3O4/MXene composites exhibit superior stability, reusability, and resistance to interference, highlighting their versatility in diverse environmental contexts. Notably, the catalyst maintains stable catalytic activity for long-term pollutant removal in a continuous-flow system. This study presents a novel approach for developing composite catalysts, providing new avenues for the treatment of emerging pollutants in wastewater.

Nitrogen-doped iron-manganese porous carbon particle electrodes for electrocatalytic degradation of tetracycline: Interfacial reaction mechanisms

In this study, nitrogen-doped porous carbon-supported iron-manganese microspheres (FeMn@NC-700) were successfully synthesized and employed as three-dimensional particle electrodes (3DPE) for electro-oxidative of tetracycline (TCH) in water. FeMn@NC-700 exhibited stable catalytic activity and effective TCH removal capabilities under complex water quality conditions and varying pH levels. Under optimized conditions, the 3D/FeMn@NC-700 system reduced the TCH concentration from an initial 20 mg/L to 0.96 mg/L within 60 min, achieving a 95.23 %removal efficiency with an energy consumption of only 10.05 kWh/m3. The outstanding electrocatalytic activity of the 3D/FeMn@NC-700 system was attributed to the dynamic redox cycling between the Fe and Mn species on the 3DPE surface. Radical quenching experiments and electron paramagnetic resonance (EPR) analysis identified the predominant role of singlet oxygen (1O2), effectively removing TCH with the assistance of hydroxyl radicals (·OH) and superoxide anions (O2·-). The degradation pathways of major intermediate products of TCH were proposed, along with a toxicity assessment. In conclusion, the 3D/FeMn@NC-700 system represents a reliable and cost-effective technology for TCH wastewater treatment.

Ionic Polymers with Phenolic Hydroxyl Groups as Hydrogen Bond Donors Toward Enhanced Catalytic Performance for CO2 Conversion

AbstractIn this study, imidazolium‐based multifunctional ionic polymer (IP 1–IP 3) series, co‐incorporated with phenolic hydroxyl groups as hydrogen bond donors (HBDs) and Cl− as nucleophiles, are synthesized by a facile quaternization method. The physicochemical characterizations of these IPs are systematically examined by using FTIR, XPS, BET, TGA, CO2‐TPD, SEM with elemental mapping and TEM methods. Their catalytic activities are evaluated toward the conversion of carbon dioxide (CO2) and epoxides into cyclic carbonates under solvent‐ and additive‐free environments. Apart from the synergy effect between HBDs and Cl−, it is found that the types of the spacer linking the two imidazole units in the diimidazole precursors (L1–L3) also play an important role in the catalytic activity. And IP 2, with a pyridine spacer as a Lewis base site, exhibits the best catalytic performance under solvent‐free mild conditions i. e., atmospheric pressure CO2, 80 °C, and 5 h. Notably, the catalyst demonstrates a good substrate applicability. Furthermore, IP 2 exhibited good reusability, stability, and it can be recycled for ten successive runs with stable and potential catalytic activity. This study provides an alternative route to construct IPs with efficient activity for CO2 catalytic conversion and fixation under mild‐conditions.

Catalytic activity of chitinase encapsulated with alginate and its application in a biosensor for postharvest fungal detection

This research aimed to preserve the chitinase catalytic activity using alginate and zinc oxide nanoparticles (ZnO-NPs), to evaluate its thermal stability at 37 ºC, 50 ºC, and 70 ºC and its ability to detect Rhizopus stolonifer, Colletotrichum fragariae, and Alternaria alternata in a capacitive transducer-based biosensor. The ZnO-NPs measured less than 100 nm. The phosphate buffer-citric acid was a better solvent than water. Al+ZnONPs Ch showed the highest thermal stability at 37 ºC and 50 ºC (2 IU) for 45 d. Conversely, the free enzyme lost its activity from day 1–28 at 37 ºC (3.3 IU-2.8 IU), and alginate-encapsulated chitinase (AlCh) had the lowest activity at 50 ºC during 45 d (1.3 IU). Chitinase, alginate, and the ZnO-NPs were confirmed for FTIR spectra. The Al+ZnONPs Ch had the best response in the biosensor, observing a decrease in electrical frequency when the concentration of the tested fungi increased (106 spores mL−1 =100–250 kHz and 104 spores mL−1 = 400 kHz). In conclusion, at 37 ºC and 50 ºC, the chitinase had a stable catalytic activity compared to the remaining treatments, and it could be used to detect fungi in a biosensor at concentrations from 103 to 106 spores mL−1.

One-pot hydrothermal synthesis of transition metal sulfides-decorated CuS microflower-like structures for electrochemical CO2 reduction to CO

Electrochemical CO2 reduction (ECR) to value-added products is regarded as a sustainable strategy to mitigate global warming and energy crisis, and designing highly efficient and robust catalysts is essential. In this work, transition metal sulfides (TMS)-decorated CuS microflower-like structures were prepared via the one-pot hydrothermal synthesis method for ECR to CO, and the influence of TMS doping on ECR performance was demonstrated. Characterization of the catalysts was performed using XRD, FESEM-EDS, N2 physisorption, and XPS, revealing the successful loading of TMS, the formation of microflower-like architectures and the generation of sulfur vacancies. Electrochemical tests demonstrated that doping ZnS, Bi2S3, CdS and MoS2 improved the intrinsic CO2 reduction activity of the CuS catalyst. Particularly, the MoS2-CuS composite catalyst with imperfect petal-like structure showed uniform distribution of edge Mo sites, which worked synergistically with the formed grain boundaries (GBs) and undercoordinated S vacancy sites in promoting CO2 activation, stabilizing *COOH adsorption, facilitating *CO desorption, and lowering the energy barrier of the potential-limiting step for improved CO selectivity. The MoS2-CuS catalyst achieved a maximum CO selectivity of 83.2% at –0.6 V versus the reversible hydrogen electrode (RHE) and a high CO cathodic energetic efficiency of 100%. At this potential, the catalyst maintained stable catalytic activity and CO selectivity during a 333-min electrolysis process. The findings will offer a promising avenue for the development of efficient and stable catalysts for CO production from ECR.

A low-temperature regenerable catalyst for stable and selective propylene production from ethylene using Ni and P-supported SSZ-13 zeolite

Due to the increasing demand for propylene, highly selective propylene production from ethylene using small pore zeolite has received significant attention. However, rapid catalyst deactivation due to coke deposition on the catalyst impedes effective propylene production in industry. Therefore, it is essential to develop a low-temperature regeneration ethylene-to-propylene (ETP) catalyst with stable catalytic activity. To achieve such a catalyst, various hydrocracking metal species and phosphorus-supported SSZ-13 were prepared and evaluated using a one-pass ETP and ETP-Regen test. The optimized catalyst NiO(1.0)-P(0.6)-SSZ-13 exhibited a constant, excellent propylene yield of over 70 wt% with 90 wt% of propylene selectivity over ETP reaction and consecutive ETP-Regen cycles. The unprecedented catalytic performance of NiO(1.0)-P(0.6)-SSZ-13 was ascribed to the synergistic effect of NiO and P components, where nickel is responsible for catalyst recovery through effective coke removal, while phosphorus plays an essential role in size-selective diffusion.

Nitrogen-doped carbon confined Cr2S3 hybrid as an efficient low-cost catalyst for electrochemical ammonia synthesis under ambient condition

A chromium sulfide-based nanohybrid (NC/Cr2S3) has been fabricated by a facile strategy of pyrolysis and vulcanization of metal complex. In this nanocomposite, the in situ formed Cr2S3 nanoparticles with a mean size about ∼ 100 nm are confined by the nitrogen-doped carbon plates-derived from the metal complex. The composite is endowed with some structural advantages involving extended surface areas, increased catalytically active centers and enhanced conductivity. As an earth-abundant low-cost electrocatalyst for nitrogen reduction reaction (NRR), compared with bare Cr2S3, NC/Cr2S3 hybrid delivers a boosted and stable catalytic activity for NRR at a low potential under mild conditions. NC/Cr2S3 is able to exhibit a high ammonia yield rate of 30.33 μg mg-1cat h−1 at −0.4 V vs RHE in sodium sulfate solution with a Faradic efficiency up to 7.66 %. Moreover, no hydrazine byproduct can be detected, showcasing a satisfactory selectivity.

Enhanced coke resistant Ni/SiO2@SiO2 core–shell nanostructured catalysts for dry reforming of methane: Effect of metal-support interaction and SiO2 shell

Suppressing coke formation on nickel-based catalysts used in methane-dry reforming is one of the most important issues. We investigate the effect of nickel metal-support interaction and outer porous silica shells on the coke formation in methane dry reforming over Ni/SiO2@SiO2 core–shell catalysts. Using a simple ammonia evaporation method, the Ni/SiO2_AE catalyst, which has highly dispersed nickel nanoparticles with ca. 7 nm, was synthesized and coated with an outer porous silica shell to produce a Ni/SiO2_AE/SiO2 core shell catalyst. Based on the TEM and N2 isotherm results, a 20 nm thick SiO2 shell having pores with a size of about 2 nm was uniformly coated on the Ni/SiO2_AE catalyst. H2-TPR, and XPS analysis results suggest that the Ni/SiO2_AE and Ni/SiO2_AE@SiO2 catalysts have high nickel dispersion. This high dispersion is due to strong metal-support interactions and the formation of Ni phyllosilicate species. On the other hand, the ones synthesized by wet impregnation method have low nickel dispersion due to weaker metal-support interactions. The Ni/SiO2_AE@SiO2 core–shell catalyst showed stable catalytic activity under methane dry reforming conditions at 600 °C. On the other hand, the Ni/SiO2_WI and Ni/SiO2_AE catalysts showed rapid deactivation due to severe coke formation. It can be concluded that the strong metal-support interaction and the silica shell can suppress catalyst deactivation caused by coke formation very effectively.

A facile and green synthesis of poly-hydroquinoline analogues in aqueous medium by CeO2-FAp@MWCNT as recyclable catalyst

The fabrication of composite materials with different loading of titanium dioxide on hydroxyapatite (CeO2-FAp@MWCNT) has been described in detail. The morphological and structural characteristics of the samples were assessed by several techniques such as FT-IR, SEM, TEM, BET, and p-XRD analysis. A four-component procedure was used to create novel poly-hydroquinoline analogues, and the catalytic efficiency of these composite materials was studied. Cyclohexanedione, ethyl acetoacetate/benzyl 3-oxobutanoate, NH4OAc, and a variety of substituted aldehydes were used in one-pot reaction that was carried out in an aqueous medium under heating condition. The approach produced high product yields (93–98 %) quickly (within 15 min) at room temperature. In addition, we assessed the effectiveness of the separated catalyst, which exhibited stable catalytic activity for a maximum of seven runs. This environmentally friendly approach provides simple workup, quick reaction times, high yields, reusable catalysts, a gentle reaction environment, and purification without the need for column chromatography.

B-N Co-Doped Graphene: Stability and Catalytic Activity in Oxygen Reduction Reaction - A Theoretical Insight.

We systematically investigated the stable configurations and catalytic activity in the Oxygen Reduction Reaction (ORR) of graphene co-doped with boron and nitrogen (B-N) using first-principles methods. Compared to single B/N doping, co-doping with BN is energetically favored. We found that intermediate species of ORR process adsorb on boron atoms, which act as catalytic sites. The presence of neighboring nitrogen atoms around boron plays a crucial role in modulating the catalytic activity of boron. For the same adsorption configuration, the adsorption energy of the adsorbate increases with the number of neighboring nitrogen atoms around boron and generally correlates positively with the number of electrons gained by the adsorbate. Regarding the catalytic activity of ORR, excessively strong adsorption of adsorbates impedes their hydrogenation. The best substrates for ORR catalytic activity are B-N-graphene and N-B2-graphene, with the rate-determining step being the hydrogenation of *OO and overpotentials of 0.49 V and 0.54 V, respectively.