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Journal articles on the topic 'Langmuir-Hinshelwood (LH)'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Liu, Yi, Li-Ming Yang, and Eric Ganz. "First-Principles Investigations of Single Metal Atoms (Sc, Ti, V, Cr, Mn, and Ni) Embedded in Hexagonal Boron Nitride Nanosheets for the Catalysis of CO Oxidation." Condensed Matter 4, no. 3 (2019): 65. http://dx.doi.org/10.3390/condmat4030065.

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We evaluated isolated transition metal atoms (Sc, Ti, V, Cr, Mn, and Ni) embedded in hexagonal-BN as novel single atom catalysts for CO oxidation. We predicted that embedded Ni atoms should have superior performance for this task. Ti, V, and Mn bind CO2 too strongly and so the reaction will not proceed smoothly. We studied the detailed reaction processes for Sc, Cr, and Ni. The Langmuir–Hinshelwood (LH), Eley–Rideal (ER), and the new termolecular Eley–Rideal (TER) processes for CO oxidation were investigated. Sc was not effective. Cr primarily used the ER process, although the barrier was rela

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Lin, Long, Pei Shi, Linwei Yao, et al. "First-principles study on CO oxidation on CuO(111) surface prefers the Eley−Rideal or Langmuir−Hinshelwood pathway." Nanotechnology 33, no. 20 (2022): 205504. http://dx.doi.org/10.1088/1361-6528/ac4f19.

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Abstract Using the first-principles approach, we investigated the electronic and chemical properties of cupric oxide CuO (110) and CuO (111) and substantiated their catalytic activity toward CO oxidation. It is found that CuO (111) surface is more stable than the CuO (110) surface. We firstly study that adsorption of CO and O2 on perfect, oxygen vacancies and Cu-anchored CuO (111) surface. It is found that adsorption of CO and O2 molecules are chemical. Then we selected the most stable adsorption structure of CO/O2 to investigated the CO oxidation mechanism on different surface, here we choose

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Dai, Guoliang, Lei Chen, and Xin Zhao. "Tungsten-Embedded Graphene: Theoretical Study on a Potential High-Activity Catalyst toward CO Oxidation." Materials 11, no. 10 (2018): 1848. http://dx.doi.org/10.3390/ma11101848.

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The oxidation mechanism of CO on W-embedded graphene was investigated by M06-2X density functional theory. Two models of tungsten atom embedded in single and double vacancy (W-SV and W-DV) graphene sheets were considered. It was found that over W-SV-graphene and W-DV-graphene, the oxidation of CO prefers to Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanism, respectively. The two surfaces exhibit different catalytic activity during different reaction stages. The present results imply that W-embedded graphene is a promising catalyst for CO oxidation, which provides a useful reference for

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QAISRANI, A. U., K. M. KHAN, and M. KHALID. "EFFECT OF ELEY–RIDEAL PROCESS ON THE PHASE DIAGRAM OF A MONOMER–DIMER CATALYTIC REACTION ON (001) SURFACE AND SUBSURFACE OF A SIMPLE CUBIC STRUCTURE." International Journal of Modern Physics C 15, no. 09 (2004): 1215–25. http://dx.doi.org/10.1142/s0129183104006650.

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We have investigated the effects of the Eley–Rideal (ER) process on the phase diagram of the Langmuir–Hinshelwood (LH) type monomer–dimer ( CO – O 2) catalytic reaction on (001) surface and subsurface of a simple cubic structure. With the consideration of a new pathway in which a dimer is adsorbed in such a way that it takes one surface site whereas second site may be from a surface or from a subsurface, a situation close to experiments is observed, i.e., with slight introduction of the monomer ( CO ), the production of AB2 starts. In this case, the qualitative trend of surface oxygen coverage

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Nuryono, Nuryono, V. V. H. Susanti, and Narsito Narsito. "KINETIC STUDY ON ADSORPTION OF CHROMIUM(lIl) TO DIATOMACEOUS EARTH PRE-TREATED WITH SULFURIC AND HYDROCHLORIC ACIDS." Indonesian Journal of Chemistry 3, no. 1 (2010): 32–38. http://dx.doi.org/10.22146/ijc.21903.

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In this research, the effect of Sangiran diatomaceous earth pre-treatment with sulfuric acid (H2SO4) and hydrochloric acid (HCl) on the kinetics of adsorption for Cr(III) in aqueous solution has been studied. The research has been carried out by mixing an amount of diatomeaeous earth with HCl or H2SO4 in various concentrations for two hours at temperature of 150 - 200°C. The mixture was washed with water until neutral, and the residue was dried at 70°C for four hours. The result then was used as adsorbent. Adsorption was carried out by mixing an amount of adsorbent with Cr(III) solution in var

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Azmiyawati, Choiril. "Kajian Kinetika Adsorpsi Mg(II) pada Silika Gel Termodifikasi Gugus Sulfonat." Jurnal Kimia Sains dan Aplikasi 9, no. 2 (2006): 35–39. http://dx.doi.org/10.14710/jksa.9.2.35-39.

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Dalam penelitian ini telah dikaji pengaruh perlakuan silika gel dengan γ-glisidoksipropiltrimetoksisilan (γ-GPS) dan garam mononatrium asam 4-amino-5-hidroksi-2,7-naftalenadisulfonat (C10H8NNaO7S2) sebagai perlakuan awal, terhadap kinetika adsorpsi magnesium, Mg(II) dalam larutan. Perlakuan dikerjakan dengan mereaksikan silika gel dan γ-GPS membentuk senyawa Si-Ep yang berfungsi sebagai senyawa perantara dalam pembuatan silika gel termodifikasi gugus sulfonat. Si-Ep selanjutnya direaksikan dengan garam sulfonat sehingga diperoleh Si-SO3H (silika sulfonat) yang berupa padatan. Padatan (adsorben

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Qaisrani, A. U., and M. Khalid. "THE EFFECT OF NO AND O2 CONCENTRATION IN A THREE COMPONENT CO-NOO2 REACTION ON CATALYTIC SURFACE APPLYING THE PRECURSOR MECHANISM: A COMPUTER SIMULATION STUDY." Nucleus 49, no. 4 (2012): 247–53. https://doi.org/10.71330/thenucleus.2012.780.

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We have studied a model for the three component CO-NO-O2 catalytic reaction on hexagonal surface through Monte Carlo simulations. This study is based on non-thermal process, which involves the precursor motion of CO molecule. The effect of ratio NO:O2 on the catalytic reduction of NO into N and O and oxidation of CO to CO2 are introduced. Many observations are recorded in the three component reaction. It is observed that with the inclusion of precursor mechanism with the Langmuir-Hinshelwood (LH) mechanism, the reactive window gets enhanced. The phase diagrams of the surface coverage with CO,

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8

Zhang, Wu. "Preparation of the anatase phase TiO2 nanocrystallites using subcritical water as the solvent and evaluation of their photocatalytic properties under visible light irradiation." Green Processing and Synthesis 7, no. 6 (2018): 506–14. http://dx.doi.org/10.1515/gps-2017-0157.

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Abstract Anatase phase TiO2 nanocrystallites are prepared using subcritical water and Rhodamine B (RB) as the solvent and the model pollutant, respectively, to test the photocatalytic activity of the obtained TiO2 nanocrystallites. The experimental results indicate that the prepared products exhibit better photocatalytic properties than those of commercial P25. The sample characterization results also indicate that the anatase phase TiO2 nanocrystallites are generated in the hydrolysis process and that the crystallinity is remarkably increased after calcination. The crystallite sizes of the an

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9

Qaisrani, A. U., M. Khalid, and B. Y. Akhtar. "THE EFFECT OF RELATIVE CONCENTRATION OF NO AND O2 IN A THREE COMPONENT NO-CO-O2 REACTION FOR THE ELEY-RIDEAL MECHANISM." Nucleus 49, no. 2 (2012): 71–78. https://doi.org/10.71330/thenucleus.2012.800.

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Monte Carlo simulations have been used to explore the effect of the Eley-Rideal (ER) mechanism for three component CO-NO-O2 heterogeneous catalytic reaction on hexagonal lattice. The system is studied for CO and XO; where XO is NO and O2 with ratio NO:O2. The effect of ratio NO:O2 on the catalytic reduction of NO into N and O and oxidation of CO to CO2 are introduced into the model. Many observations are recorded in this three component reaction. It is observed that with the inclusion of ER mechanism with the Langmuir-Hinshelwood (LH) mechanism, a second order phase transition is eliminated an

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Naseem, Khalida, Muhammad Zia Ur Rehman, Awais Ahmad, Deepak Dubal, and Tahani Saad AlGarni. "Plant Extract Induced Biogenic Preparation of Silver Nanoparticles and Their Potential as Catalyst for Degradation of Toxic Dyes." Coatings 10, no. 12 (2020): 1235. http://dx.doi.org/10.3390/coatings10121235.

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This study focusses on the synthesis of silver nanoparticles (Ag-nPs) by citrus fruit (Citrus paradisi) peel extract as reductant while using AgNO3 salt as source of silver ions. Successful preparation of biogenic CAg-nPs catalyst was confirmed by turning the colorless reaction mixture to light brown. The appearance of surface Plasmon resonance (SPR) band in UV-Vis spectra further assured the successful fabrication of nPs. Different techniques such as FTIR, TGA and DLS were adopted to characterize the CAg-nPs. CAg-nPs particles were found to excellent catalysts for reduction of Congo red (CR),

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Ananth, Kandala, and Srinivasu K. "First principles investigation of atomic gold dispersed g-C3 N4 as an active catalyst for CO oxidation reaction." Journal of Indian Chemical Society Vol. 96, Jul 2019 (2019): 1011–17. https://doi.org/10.5281/zenodo.5644846.

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School of Physics, University of Hyderabad, Hyderabad-500 046, India Theoretical Chemistry Section, Bhabha Atomic Research Centre, Mumbai-400 085, India Homi Bhabha National Institute, Mumbai-400 094, India <em>E-mail</em>: ksvasu@barc.gov.in <em>Manuscript received online 15 May 2019, revised and accepted 01 June 2019</em> Density functional theory calculations have been performed to explore atomic Au decorated graphitic carbon nitride (Au@g-C<sub>3</sub> N<sub>4</sub> ) as an active catalyst for CO oxidation reaction. Binding energy of Au atom to the carbon nitride substrate is found to be s

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Zavrazhnov, Sergey, Anton Esipovich, Sergey Zlobin, Artem Belousov, and Andrey Vorotyntsev. "Mechanism Analysis and Kinetic Modelling of Cu NPs Catalysed Glycerol Conversion into Lactic Acid." Catalysts 9, no. 3 (2019): 231. http://dx.doi.org/10.3390/catal9030231.

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Mechanism analysis and kinetic modeling of glycerol conversion into lactic acid in the alkaline media with and without heterogeneous catalyst Cu NPs are reported. The reaction pathways were determined in agreement with the experimental results and comprise several types of reactions, namely dehydrogenation, hydrogenolysis, dehydration and C–C cleavage. Experimental concentration-time profiles were obtained in a slurry batch reactor at different glycerol, NaOH and Cu NPs concentrations in a temperature range of 483–518 K. Power law, Langmuir–Hinshelwood (LH) and Eley–Rideal (ER) models were cho

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Said, Alahiane* Asma Sennaoui Samir Qourzal Fatima Sakr Ali Assabbane. "ELIMINATION OF DIRECT AZO DYE RED 80 IN AQUEOUS SOLUTION BY HETEROGENEOUS PHOTOCATALYSIS." INTERNATIONAL JOURNAL OF ENGINEERING SCIENCES & RESEARCH TECHNOLOGY 6, no. 1 (2017): 303–13. https://doi.org/10.5281/zenodo.250383.

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The photoelimination, at ambient temperature, of aqueous solutions of Direct Red 80 dye (DR 80) in the presence of TiO<sub>2</sub> and ZnO catalystshas been studied in the presence of UV radiation generated by an artificial light source.We have determined the influence of several physico-chemical parameters (the mass of the catalyst, the initial concentration of dye and the initial pH of the solution) which govern the kinetics of degradation of this pollutant in order to be in optimum conditions.The catalysts used show a good photocatalytic activity. Indeed, for the first 15 minutes of irradia

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14

Trang, Nguyen Thi Thu, Mai Thi Xuan, Nguyen Viet Hoang, et al. "Synthesis of mesoporous TiO₂‐MCM‐41 photocatalyst for quinolone antibiotics removal from aqueous solution." Vietnam Journal of Chemistry 60, no. 5 (2022): 589–96. http://dx.doi.org/10.1002/vjch.202100173.

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AbstractIn this paper, a significant aspect of using TiO2 photocatalyst immobilized on MCM‐41 mesoporous material by sol‐gel method for ciprofloxacin (CIP) and norfloxacin (NOR) antibiotics removals was studied. The structure and morphology of the materials were evaluated by X‐ray diffraction (XRD), energy‐dispersive X‐ray spectrometer analysis combined with field‐emission scanning electron microscopy (FESEM‐EDX), fourier transform infrared spectroscopy (FTIR), transmission electron microscopes (TEM), and N2 adsorption‐desorption isotherms (BET) methods. Characterization results indicated that

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15

Saumya, Gurtu, Rai Sandhya, and Deva Priyakumar U. "Comparative study of the efficiency of Au, Ag, Pd and Pt based mono and bimetallic trimer clusters for the CO oxidation reaction." Journal of Indian Chemical Society Vol. 96, Jul 2019 (2019): 921–31. https://doi.org/10.5281/zenodo.5644726.

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Center for Computational Natural Sciences and Bioinformatics, International Institute of Information Technology, Hyderabad-500 032, India Theoretical Science Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru-560 001, India <em>E-mail:</em> deva@iiit.ac.in <em>Manuscript received online 29 April 2019, revised and accepted 23 May 2019</em> Understanding synergistic effect by calculating electronic structure is essential to fine-tune the catalytic properties of bimetallic nanoalloy clusters which might be used for design of novel efficient catalysts. Density functi

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16

Garlisi, Corrado, Ahmed Yusuf, and Giovanni Palmisano. "Photocatalytic Degradation of 2-propanol Over TiO2-based Thin Films in a Simulated Pilot Microreactor." Journal of Photocatalysis 2, no. 2 (2021): 97–104. http://dx.doi.org/10.2174/2665976x02666210217085502.

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Background: Microreactor devices have attracted increasing attention over the last years due to their high surface-to-volume ratio, which ensures a high heat and mass transfer, short molecular diffusion distance and greater spatial illumination homogeneity compared to the traditional reactors. Objective: The aim of this study was to model the kinetics of photo-degradation of 2-propanol over TiO2-based thin films in a gas-phase batch-reactor and simulate their performance in a microreactor device. Methods: The reaction was carried out in a gas-phase batch-reactor, assessing the reactivity of si

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17

Petrella, Andrea, Danilo Spasiano, Pinalysa Cosma, et al. "Methyl Orange Photo-Degradation by TiO2 in a Pilot Unit under Different Chemical, Physical, and Hydraulic Conditions." Processes 9, no. 2 (2021): 205. http://dx.doi.org/10.3390/pr9020205.

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The photo-catalytic degradation of a textile azo-dye as Methyl Orange was studied in an innovative unit constituted by a channel over which a layer of titanium dioxide (TiO2) catalyst in anatase form was deposited and activated by UVB irradiation. The degradation kinetics were followed after variation of the chemical, physical, and hydraulic/hydrodynamic parameters of the system. For this purpose, the influence of the TiO2 dosage (g/cm3), dye concentration (mg/L), pH of the solution, flow-rate (L/s), hydraulic load (cm), and irradiation power (W) were evaluated on the degradation rates. It was

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Kumar, Pankaj, Dan Meyerstein, Amir Mizrahi, and Haya Kornweitz. "Investigation of the Adsorption and Reactions of Methyl Radicals on Transition Metal (M = Co, Ni, Pd, Pt) (111) Surfaces in Aqueous Suspensions." Molecules 30, no. 15 (2025): 3065. https://doi.org/10.3390/molecules30153065.

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The DFT method was used to evaluate the adsorption of methyl radicals and the evolution of ethane on the M(111) (M = Co, Ni, Pd, Pt) surfaces, eight metal atoms, in aqueous medium. A maximum of five and four radicals can be adsorbed on Co(111) and Ni(111), respectively, and six on Pd(111) and Pt(111) (top site). The ethane evolution occurs via the Langmuir–Hinshelwood (LH) or Eley–Rideal (ER) mechanisms. The production of ethane through the interaction of two adsorbed radicals is thermodynamically feasible for high coverage ratios on the four surfaces; however, kinetically, it is feasible at r

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Padavala, Sri Krishna Murthy, Xin Geng, Long Luo, and Kelsey A. Stoerzinger. "Impact of Catalyst Morphology on the Adsorption and Electrocatalytic Hydrogenation of Benzaldehyde." ECS Meeting Abstracts MA2023-01, no. 50 (2023): 2587. http://dx.doi.org/10.1149/ma2023-01502587mtgabs.

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Biomass represents an untapped resource for achieving a circular carbon economy. Current processes for converting biomass are limited to centralized processing facilities. Electrochemical approaches are inherently modular and enable decentralized upgrading of pyrolysis oil to value-added chemicals and fuels (products). A primary component of the aqueous phase of such feedstocks are carbonyl functionalities, where benzaldehyde (BZ) represents a model compound. Selective reduction of BZ to benzyl alcohol (BnOH) can be used to understand the catalytic upgrading of pyrolysis oil to value-added pro

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Zolekafeli, Zulhatiqah, Syafarina Farisa Sateria, Ahmad Husaini Mohamed, Siti Hajar Alias, Kavirajaa Pandian Sambasevam, and Siti Nor Atika Baharin. "Removal of Tetracycline Using Tungsten Disulfide/Graphene Oxide as Photocatalyst: Effect of Light Irradiation and Kinetic Studies." Bulletin of Chemical Reaction Engineering & Catalysis 19, no. 3 (2024): 512–20. http://dx.doi.org/10.9767/bcrec.20204.

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Once widely utilised in both human and veterinary medicine, tetracycline antibiotics are now recognised as major environmental pollutants with detrimental effects on the environment and human health. Concerns regarding allergic responses, gastrointestinal problems, and diseases resistant to antibiotics are raised by their persistence in soil, groundwater, and surface water. The production of a tungsten disulfide-graphene oxide nanocomposite for tetracycline degradation under varied light sources is presented in this work. The successful incorporation of tungsten disulfide on graphene oxide str

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Hurt, Robert H., and Joseph M. Calo. "Semi-global intrinsic kinetics for char combustion modeling††Entry 2 has also been referred to as “Langmuir kinetics.” The present paper adopts common chemical engineering usage, in which the designation “Langmuir” is applied to the equilibrium adsorption isotherm, and when the isotherm is applied within the derivation of a kinetic law for a heterogeneous reaction the result is referred to as a Langmuir–Hinshelwood (LH) kinetic law, or Langmuir–Hinshelwood–Hougen–Watson (LHHW) kinetic law. There are many LH kinetic forms—entry 2 is valid for the special case of no surface reaction between adsorbed species." Combustion and Flame 125, no. 3 (2001): 1138–49. http://dx.doi.org/10.1016/s0010-2180(01)00234-6.

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Markunas, Brianna, and Joshua David Snyder. "Phenol-Mediated Proton Shuttling Enables Electrochemical Hydrogenation of Phenol in Alkaline Electrolytes on Rhodium." ECS Meeting Abstracts MA2024-02, no. 53 (2024): 3613. https://doi.org/10.1149/ma2024-02533613mtgabs.

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Thermal chemical hydrogenation (TCH) is a key reaction for upgrading petroleum and biomass feedstocks to value- added fuels and chemicals. TCH requires high operating temperatures and pressures which results in high energy consumption and CO2 emissions. Electrochemical hydrogenation (ECH) is a mild alternative where applied potential drives the hydrogenation of hydrocarbons with protons from the aqueous electrolyte near ambient conditions. Phenol is a simple representative compound for renewable lignocellulosic feedstocks that has been the focus of recent ECH studies. The added complexity from

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Bazta, Otman, Ana Urbieta, Susana Trasobares, et al. "In-Depth Structural and Optical Analysis of Ce-modified ZnO Nanopowders with Enhanced Photocatalytic Activity Prepared by Microwave-Assisted Hydrothermal Method." Catalysts 10, no. 5 (2020): 551. http://dx.doi.org/10.3390/catal10050551.

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Pure and Ce-modified ZnO nanosheet-like polycrystalline samples were successfully synthesized by a simple and fast microwave-based process and tested as photocatalytic materials in environmental remediation processes. In an attempt to clarify the actual relationships between functionality and atomic scale structure, an in-depth characterization study of these materials using a battery of complementary techniques was performed. X-ray diffraction (XRD), field emission-scanning electron microscopy (FE-SEM), high-resolution transmission electron microscopy (HRTEM), high-angle annular dark field-sc

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Kebir, Mohammed, Rachida Bouallouche, Noureddine Nasrallah, et al. "Sustainable Photodegradation of Amoxicillin in Wastewater with a Nickel Aluminate and ZnO Heterosystem Oxides: Experimental and Gaussian Process Regression Modeling Studies." Catalysts 14, no. 12 (2024): 875. https://doi.org/10.3390/catal14120875.

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The wastewater generated by the pharmaceutical industry poses a risk to the environment due to undesirable characteristics such as low biodegradability, high levels of contaminants, and the presence of suspended solids, in addition to the high load of organic matter due to the presence of drugs and other emerging products in the effluent. This study aims to reduce the impact of wastewater pollution by removing amoxicillin (AMO) antibiotics as an organic pollutant. In this concept, two synthesized catalysts, NiAl2O4 and ZnO, are sensitive oxides to light energy. The prepared materials were then

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Biswakarma, Nishant, Plaban Jyoti Sarma, Shilpa Neog, et al. "Termolecular Eley–Rideal pathway for catalytic oxidation of nitric oxide on [Pt₂]^0,± dimers using O₂." International Journal of Quantum Chemistry 124, no. 10 (2024). http://dx.doi.org/10.1002/qua.27390.

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AbstractA comprehensive density functional theory (DFT) investigation of the catalytic oxidation of NO to NO2 on neutral and charged [Pt2]0,± dimers has been considered employing M06L/def2TZVP level of theory. Single as well as co‐adsorption energies of NO and O2 molecules suggest that the traditional Langmuir Hinshelwood (LH) mechanism and less explored termolecular Eley–Rideal (TER) and termolecular Langmuir Hinshelwood (TLH) mechanisms, are suitable for a full catalytic reaction pathway in which two NO molecules are converted to two NO2 molecules, initiated by an activated O2 molecule. Acti

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Gouveia, José D., and José R. B. Gomes. "Single‐Atom Catalysts Based on the Mo₂CO₂ MXene for CO Oxidation." Advanced Theory and Simulations, June 22, 2024. http://dx.doi.org/10.1002/adts.202400342.

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AbstractThrough density functional theory calculations, the mechanism of CO oxidation to CO2 on single‐atom catalysts consisting of an atom of Ti, Fe, or Zn deposited on the surface of the Mo2CO2 MXene is investigated. In the case of Fe@Mo2CO2, a mechanism resembling that of Termolecular Langmuir–Hinshelwood (TLH) is thermodynamically and kinetically favored, displaying very exothermic CO2 formation, low activation energies, and easy CO2 desorption. On Ti@Mo2CO2, the dissociation of CO2 is almost barrierless and much more likely to occur than CO2 desorption, barring the usage of this surface a

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Aguilar, Claudia A., Alberto de la Cruz, Carlos Montalvo, et al. "Effect of kinetics on the photocatalytic degradation of acetaminophen and the distribution of major intermediate with anatase-Ag synthesized by sol gel under visible irradiation." Frontiers in Environmental Science 10 (October 3, 2022). http://dx.doi.org/10.3389/fenvs.2022.943776.

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The degradation of acetaminophen (ACET) was studied with TiO2-Ag catalysts, whose predominant crystalline phase was anatase, synthesized by the sol–gel method and doped by photo-deposition under UV radiation with silver particles. The catalyst was characterized by energy dispersive X-ray fluorescence (EDXRF) and X-ray diffraction (DRX). The acetaminophen degradation was determined by high-performance liquid chromatography (HPLC) and total organic carbon (TOC). The reaction behavior was studied under the Langmuir–Hinshelwood (LH-HW) equation and in a TOC-based model. With the experimental data,

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Ragab, Ahmed H., Abeer A. Hassan, and Adnan Ali Khan. "Al‐Decorated C₂₀ Fullerene as a Promising Noble Metal‐Free Catalyst for CO Oxidation: A DFT Study." ChemistrySelect 9, no. 38 (2024). http://dx.doi.org/10.1002/slct.202400867.

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AbstractTo remove the toxic carbon monoxide (CO) gas from the environment, recently, researchers have taken great interest in single‐atom catalysts (SACs). In this study, we investigated various reaction pathways and barrier energies for the CO oxidation process onto Al‐decorated C20 fullerene (Al@C20) employing density functional theory (DFT). The outcomes validate that Al decoration on C20 is energetically stable while the corresponding electronic properties show that the Al atom acts as the reactive site for catalytic activity. The bond distances and larger negative adsorption energies (−0.

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Wang, Jun, Junheng Huang, Chunguang Jia, et al. "Catalyst‐Engineered Proton Transfer Pathways for Selective Hydrogen Peroxide Electrosynthesis in Solid‐State Electrolytes." Angewandte Chemie, July 4, 2025. https://doi.org/10.1002/ange.202510645.

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AbstractPolymer‐based solid electrolyte (SE) cells promise electrochemical synthesis of pure hydrogen peroxide (H2O2), yet the protonation mechanisms governing the two‐electron oxygen reduction reaction (2e−‐ORR) remain unclear when using pure water as the proton source. Both Langmuir–Hinshelwood (LH, surface *H‐mediated) and Eley–Rideal (ER, water‐derived proton‐coupled) pathways are theoretically plausible, but their practical dominance under SE conditions lacks experimental validation. Herein, we designed a hierarchical Ni─N2─C─O single‐atom/NiO nanocluster co‐decorated porous carbon nanosh

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Rivera De la Rosa, Javier, Carlos J. Lucio-Ortiz, Celia D. Pedroza-Solís, David De Haro-Del Rio, and Tomás Hernández García. "La-, Mn- and Fe-Doped Zirconia Washcoats Deposited on Monolithic Reactors via Sol-Gel Method: Characterization and Evaluation of their Mass Transfer Phenomena and Kinetics in Trichloroethylene Combustion." International Journal of Chemical Reactor Engineering 15, no. 5 (2017). http://dx.doi.org/10.1515/ijcre-2017-0027.

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Abstract La-, Mn- and Fe-doped ZrO2 was synthesized using the sol-gel method, washcoated on cordierite monoliths and used in trichloroethylene (TCE) combustion. A sol from sol-gel synthesis method was used to obtain the zirconia washcoatings. The washcoatings deposited on the cordierite monolith materials were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy and N2 physisorption measurements, being the crystalline phase determination the most correlate with the catalytic activity. The washcoat properties were correlat

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Alharbi, M., H. Althubyani, E. Alarfaj, et al. "Photocatalytic Performances of Dip-Coated Ag Doped TiO2 Thin Films." Archives of Metallurgy and Materials, September 24, 2024, 987–96. http://dx.doi.org/10.24425/amm.2024.150919.

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In this study, dip coating technique is used to deposit titanium dioxide (TiO2) and silver (Ag)–doped–TiO2 nanocomposite thin films on glass substrates. The obtained films are typified using different characterization techniques such as X-ray diffraction (XRD), and UV–Vis-NIR spectroscopy. Films are also tested for environmental applications related to color degradation (methylene blue). The XRD analysis confirms that the prepared nanostructures are the anatase phase of titania. The crystal sizes of annealed Ag–TiO2 as well as TiO2 thin films have been summarized across the XRD pattern and are

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