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Search Results (123)

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Keywords = S-adsorbed species

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17 pages, 2022 KiB  
Article
Determination of the Mechanisms of Terbium(III) Biosorption by Bacillus Strains with Adsorption Selectivity for Heavy Rare Earth Elements
by Huihong Huang, Kang Pan, Wenchao Jian, Yuwen She, Comfort O. Esumeh and Wei Dong
Microorganisms 2025, 13(8), 1753; https://doi.org/10.3390/microorganisms13081753 - 27 Jul 2025
Viewed by 303
Abstract
Bacillus species have shown the potential to recover rare earth elements (REEs), but strains with adsorption selectivity for terbium(III) remain understudied. In this study, six Bacillus strains with the capability for efficient adsorption of Tb(III) were screened from an ionic rare earth mine [...] Read more.
Bacillus species have shown the potential to recover rare earth elements (REEs), but strains with adsorption selectivity for terbium(III) remain understudied. In this study, six Bacillus strains with the capability for efficient adsorption of Tb(III) were screened from an ionic rare earth mine and were identified based on 16S rRNA gene sequencing. Adsorption experiments showed that Bacillus sp. DW011 exhibited exceptional Tb(III) adsorption efficiency, with an adsorption rate of 90.45% and adsorption selectivity for heavy rare earth elements. Notably, strain DW011 was also found to be tolerant against Tb(III) with the 24 h 50% lethal concentration (LC50) of 2.62 mM. The biosorption mechanisms of DW011 were investigated using adsorption kinetics, SEM-EDS, and FTIR. The results indicated that the adsorption of strain DW011 conforms to the second-order kinetic model, and the teichoic acid–peptidoglycan network (phosphate-dominated) serves as the primary site for heavy REE adsorption, while carboxyl/amino groups in the biomembrane matrix provide secondary sites for LREEs. This study provides new information that Bacillus strains isolated from ionic rare earth mine deposits have potential as green adsorbents and have high selectivity for the adsorption of heavy REEs, providing a sustainable strategy for REE recovery from wastewaters. Full article
(This article belongs to the Section Microbial Biotechnology)
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9 pages, 1926 KiB  
Communication
Surface Modification of Fe-Based Perovskite Oxide via Sr0.95Ce0.05CoO3−δ Infiltration: A Strategy for Thermochemical Stability
by Taeheun Lim and Heesoo Lee
Nanomaterials 2025, 15(12), 934; https://doi.org/10.3390/nano15120934 - 16 Jun 2025
Viewed by 617
Abstract
Cobalt-based perovskite oxides exhibit remarkable catalytic activity owing to abundant oxygen vacancies and mixed ionic–electronic conductivity, but they suffer from structural instability. In contrast, iron-based perovskite oxides are thermochemically stable under oxidizing and reducing conditions but are catalytically limited. To combine these complementary [...] Read more.
Cobalt-based perovskite oxides exhibit remarkable catalytic activity owing to abundant oxygen vacancies and mixed ionic–electronic conductivity, but they suffer from structural instability. In contrast, iron-based perovskite oxides are thermochemically stable under oxidizing and reducing conditions but are catalytically limited. To combine these complementary properties, a composite perovskite oxide was designed and prepared by infiltrating Sr0.95Ce0.05CoO3−δ (SCC) into Ba0.5Sr0.5Fe0.8Cu0.2O3−δ (BSFC). The SCC precursor solution was dropwise applied to a BSFC|SDC|BSFC symmetric cell and heat treated. Surface morphology and compositional analyses confirmed the distribution of SCC nanoparticles on the BSFC surface. High-temperature X-ray diffraction and Rietveld refinement results revealed that both BSFC and SCC retained the cubic perovskite structure (space group Pm-3m) at room temperature. No phase transition or secondary phase formation was observed during heating from 200 to 800 °C, and the peak shifts are attributed to thermal expansion and possible oxygen loss at elevated temperatures. Upon cooling, the diffraction patterns returned to their initial state, confirming a high-temperature structural stability. XPS analysis showed an increase in the satellite peak intensity associated with Fe3+ after SCC infiltration, and the average oxidation state of Fe decreased from 3.52 (BSFC) to 3.49 (composite perovskite oxide). The O 1s spectra revealed a higher relative content of surface-adsorbed oxygen species in the composite, indicating increased oxygen vacancy formation. Full article
(This article belongs to the Section Nanocomposite Materials)
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19 pages, 2197 KiB  
Article
Urban Tree Species Capturing Anthropogenic Volatile Organic Compounds—Impact on Air Quality
by Mauricio Araya, Javier Vera and Margarita Préndez
Atmosphere 2025, 16(4), 356; https://doi.org/10.3390/atmos16040356 - 21 Mar 2025
Viewed by 477
Abstract
Tropospheric ozone (O3) and other pollutants significantly affect Chile’s Metropolitan Region, posing risks to human health. As a secondary pollutant and a major photochemical oxidant, O3 formation is driven by anthropogenic volatile organic compounds (AVOCs) from the residential and transport [...] Read more.
Tropospheric ozone (O3) and other pollutants significantly affect Chile’s Metropolitan Region, posing risks to human health. As a secondary pollutant and a major photochemical oxidant, O3 formation is driven by anthropogenic volatile organic compounds (AVOCs) from the residential and transport sectors, the main sources of gaseous emissions. This study evaluated the AVOC capture capacity of leaf material from two tree species, Quillaja saponaria (native species) and Robinia pseudoacacia (exotic species), as potential urban biomonitors. Leaf samples were collected near nine SINCA official monitoring stations and the Antumapu University Campus, stored frozen, and analyzed by HS-SPME-GC/MSD for AVOC quantification. Photochemical reactivity and O3 formation potential were assessed using equivalent propylene concentration (Prop-Equiv) and Ozone Formation Potential (OFP) methods. The results showed that both species captured atmospheric AVOCs, confirming their role as bioindicators. However, Q. saponaria adsorbed significantly higher AVOC concentrations and exhibited greater tropospheric O3 formation potential than R. pseudoacacia. Given the AVOC adsorption capacity of both tree species, they could be used as biomonitors for styrene and also as a biomonitor for toluene in the case of Q. saponaria. This research highlights the importance of selecting tree capacity to improve urban air quality. Full article
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13 pages, 6451 KiB  
Article
Insight into Reduction Process of Diquat on Silver and Copper Electrodes Studied Using SERS
by María Rosa López-Ramírez, Lucas Olivares-Fernández and Santiago Sanchez-Cortes
Chemosensors 2025, 13(2), 39; https://doi.org/10.3390/chemosensors13020039 - 27 Jan 2025
Cited by 1 | Viewed by 1260
Abstract
A surface-enhanced Raman scattering (SERS) study of diquat (DQ) on silver and copper electrodes is presented in this work in order to complete previous studies on the SERS of DQ on metal nanoparticles. We supported the experimental results with theoretical calculations of different [...] Read more.
A surface-enhanced Raman scattering (SERS) study of diquat (DQ) on silver and copper electrodes is presented in this work in order to complete previous studies on the SERS of DQ on metal nanoparticles. We supported the experimental results with theoretical calculations of different species of DQ, analyzing the most important molecular differences and their corresponding Raman spectra. DQ SERS spectra on Ag and Cu electrodes were obtained at different excitation wavelengths. An analysis of the SERS spectra revealed that at more positive electrode potentials, the interaction of DQ with the metal formed a charge-transfer complex via the chloride anion previously adsorbed on the surface; additionally, at more negative potentials, other species of diquat, such as DQ2+, could be directly adsorbed on the metal’s surface. Finally, we detected new SERS bands corresponding to DQ at negative electrode potentials that were sensitive to the excitation wavelength, suggesting that lateral interactions between radical cation species on the electrode surface lead to intramolecular dimerization and a possible multilayer of the adsorbate. Full article
(This article belongs to the Special Issue Surface-Enhanced Raman Spectroscopy for Bioanalytics)
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18 pages, 4767 KiB  
Article
The Ability of AST-120 to Lower the Serum Indoxyl Sulfate Level Improves Renal Outcomes and the Lipid Profile in Diabetic and Nondiabetic Animal Models of Chronic Kidney Disease: A Meta-Analysis
by Hande O. Altunkaynak, Eda Karaismailoglu and Ziad A. Massy
Toxins 2024, 16(12), 544; https://doi.org/10.3390/toxins16120544 - 16 Dec 2024
Cited by 1 | Viewed by 2011
Abstract
The therapeutic benefit of the oral adsorbent drug AST-120 in chronic kidney disease (CKD) is related to an indoxyl sulfate (IS)-lowering action. Diabetes and dyslipidemia might worsen kidney damage in CKD. However, it is not known whether AST-120 influences lipid abnormalities as well [...] Read more.
The therapeutic benefit of the oral adsorbent drug AST-120 in chronic kidney disease (CKD) is related to an indoxyl sulfate (IS)-lowering action. Diabetes and dyslipidemia might worsen kidney damage in CKD. However, it is not known whether AST-120 influences lipid abnormalities as well as renal function in patients with CKD and diabetes. The objective of the present meta-analysis was to evaluate the efficacy of AST-120 treatment in CKD using data from preclinical studies. Mixed-effect or random-effect models were used to estimate the standardized mean difference (SMD) and the 95% confidence interval (CI). Publication bias was assessed with a funnel plot and Egger’s test. The potential influence of some variables (the dose and duration of AST-120 treatment, the animal species, and the CKD model’s diabetic status) was evaluated in subgroup analyses. Treatment with AST-120 was associated with a significantly lower IS level in animals with CKD (SMD = −1.75; 95% CI = −2.00, −1.49; p < 0.001). Significant improvements in markers of renal function and the lipid profile were also observed. In subgroup analyses of the cholesterol level, the diabetic status, the AST-120 dose, and the animal species were found to be influential factors. AST-120 lowered serum IS and triglyceride levels and improved renal function in animal models of CKD independent of diabetes status. However, AST-120’s ability to lower the total cholesterol level was more prominent in animals with diabetic CKD. Full article
(This article belongs to the Special Issue The Role of Uremic Toxins in Comorbidities of Chronic Kidney Disease)
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22 pages, 6321 KiB  
Review
A Review of Innovative Cucurbituril-Based Photocatalysts for Dye Degradation
by Mosab Kaseem
Catalysts 2024, 14(12), 917; https://doi.org/10.3390/catal14120917 (registering DOI) - 12 Dec 2024
Viewed by 4018
Abstract
This review explores the advancements in photocatalysis facilitated by cucurbiturils (CBs), specifically focusing on CB[5], CB[6], CB[7], and CB[8]. Cucurbiturils have gained prominence due to their exceptional ability to enhance photocatalytic reactions through mechanisms such as improved charge separation, high adsorption capacities, and [...] Read more.
This review explores the advancements in photocatalysis facilitated by cucurbiturils (CBs), specifically focusing on CB[5], CB[6], CB[7], and CB[8]. Cucurbiturils have gained prominence due to their exceptional ability to enhance photocatalytic reactions through mechanisms such as improved charge separation, high adsorption capacities, and the generation of reactive oxygen species. The review summarizes recent research on the use of CBs in various photocatalytic applications, including dye degradation, pollutant removal, and wastewater treatment. Studies highlight CB[5]’s utility in dye removal and the creation of efficient nanocomposites for improved degradation rates. CB[6] is noted for its high adsorption capacities and photocatalytic efficiency in both adsorption and degradation processes. CB[7] shows promise in adsorbing and degrading toxic dyes and enhancing fluorescence in biomedical applications, while CB[8] leads to significant improvements in photocatalytic activity and stability. The review also discusses the synthesis, properties, and functionalization of cucurbiturils to maximize their photocatalytic potential. Future research directions include the optimization of cucurbituril-based composites, the exploration of new application areas, and scaling up their use for practical environmental and industrial applications. This comprehensive review provides insights into the current capabilities of cucurbituril-based photocatalysts and identifies key areas for future development in sustainable photocatalytic technologies. Full article
(This article belongs to the Special Issue Green Chemistry and Catalysis)
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15 pages, 3809 KiB  
Article
Graphitic Carbon Nitride Confers Bacterial Tolerance to Antibiotics in Wastewater Relating to ATP Depletion
by Shuo Liu, Lin Teng and Jiantao Ping
Molecules 2024, 29(23), 5780; https://doi.org/10.3390/molecules29235780 - 6 Dec 2024
Cited by 1 | Viewed by 913
Abstract
Graphitic carbon nitride (C3N4) is a kind of visible light-responsive photocatalyst that has been of great interest in wastewater treatment. However, its environmental impact and biological effect remains to be elucidated. This study investigated the effect of C3 [...] Read more.
Graphitic carbon nitride (C3N4) is a kind of visible light-responsive photocatalyst that has been of great interest in wastewater treatment. However, its environmental impact and biological effect remains to be elucidated. This study investigated the effect of C3N4 nanosheets on bacterial abundance and antibiotic tolerance in wastewater. Interestingly, as compared to the wastewater containing the antibiotic ofloxacin alone, the wastewater containing both ofloxacin and C3N4 had much higher numbers of total living bacteria, but lower levels of the ofloxacin-resistant bacteria and the ofloxacin-resistant gene qnrS. The model bacterium Staphylococcus aureus was then used to explore the mechanism of C3N4-induced antibiotic tolerance. The nanosheets neither adsorbed the antibiotic nor promoted drug efflux, uncovering that drug adsorption and efflux were not involved in antibiotic tolerance. Further investigations revealed that the nanosheets, like arsenate and menadione, drastically reduced ATP levels and induced the production of reactive oxygen species for enhanced antibiotic tolerance. This study revealed an antibiotic-tolerating mechanism associated with C3N4-induced ATP depletion, and shed a light on the effect of photocatalysts on microbial ecology during their application in wastewater treatment. Full article
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13 pages, 2123 KiB  
Article
Effects of Sesuvium portulacastrum Floating Treatment Wetlands on Nitrogen Removal and Carbon Sequestration in Aquaculture Water
by Shenghua Zheng, Man Wu, Liyang Zhan, Yongqing Lin, Miaofeng Yang, Huidong Zheng, Fang Yang, Donglian Luo and Xin Wang
Water 2024, 16(23), 3472; https://doi.org/10.3390/w16233472 - 2 Dec 2024
Viewed by 1050
Abstract
Sesuvium portulacastrum floating treatment wetlands (FTWs) are effective at removing nitrogen and phosphorus, adsorbing heavy metals, and removing organic pollutants from aquaculture wastewater, and thus improve fish farming productivity. In this study, an S. portulacastrum FTW was used in a simulated grouper aquaculture [...] Read more.
Sesuvium portulacastrum floating treatment wetlands (FTWs) are effective at removing nitrogen and phosphorus, adsorbing heavy metals, and removing organic pollutants from aquaculture wastewater, and thus improve fish farming productivity. In this study, an S. portulacastrum FTW was used in a simulated grouper aquaculture experiment for 40 days. The FTW removed 1~3 mg/L of dissolved inorganic nitrogen (DIN) throughout the experimental period as well as the following toxic nitrogen species: 88% NO2-N in the middle stage and 90% TAN (total ammonia nitrogen) in the middle stage. The health of the groupers was promoted and the weight of each grouper was 8% higher than those in the control group in the end. Compared with that of the control group, the carbon sequestration of the aquaculture ecosystem was also increased by S. portulacastrum FTW because more carbon was held in the biomass, including through the growth of the plant mass of the FTW, 109 g C/pond, and a reduction in fishing catch losses, 442 g C/pond. Therefore, S. portulacastrum FTW can serve as a potential technology for improving the water environment quality of feeding ponds and contributing to carbon sequestration in aquaculture systems. Full article
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19 pages, 2045 KiB  
Article
Anomalous Diffusion and Non-Markovian Reaction of Particles near an Adsorbing Colloidal Particle
by Derik W. Gryczak, Ervin K. Lenzi, Michely P. Rosseto, Luiz R. Evangelista, Luciano R. da Silva, Marcelo K. Lenzi and Rafael S. Zola
Fluids 2024, 9(10), 221; https://doi.org/10.3390/fluids9100221 - 24 Sep 2024
Viewed by 1022
Abstract
We investigate the diffusion phenomenon of particles in the vicinity of a spherical colloidal particle where particles may be adsorbed/desorbed and react on the surface of the colloidal particle. The mathematical model comprises a generalized diffusion equation to govern bulk dynamics and kinetic [...] Read more.
We investigate the diffusion phenomenon of particles in the vicinity of a spherical colloidal particle where particles may be adsorbed/desorbed and react on the surface of the colloidal particle. The mathematical model comprises a generalized diffusion equation to govern bulk dynamics and kinetic equations which can describe non-Debye relaxations and is used for the colloid’s surface. For the reaction processes, we also consider the presence of convolution kernels, which offer the flexibility of describing a single process or process with intermediate reactions before forming the final species. Our analysis focuses on analytical and numerical calculations to obtain the particles’ behavior on the colloidal particle’s surface and to determine how it affects the diffusion of particles around it. The solutions obtained show various behaviors that can be connected to anomalous diffusion phenomena and may be used to describe the ever-richer science of colloidal particles better. Full article
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31 pages, 7095 KiB  
Article
Evaluation of a Volume-Averaged Species Transport Model with Micro–Macro Coupling for Breakthrough Curve Prediction
by Parham Mobadersani, Naine Tarun Bharat and Krishna M. Pillai
Molecules 2024, 29(17), 4218; https://doi.org/10.3390/molecules29174218 - 5 Sep 2024
Viewed by 1255
Abstract
In porous water filters, the transport and entrapment of contaminants can be modeled as a classic mass transport problem, which employs the conventional convection–dispersion equation to predict the transport of species existing in trace amounts. Using the volume-averaging method (VAM), the upscaling has [...] Read more.
In porous water filters, the transport and entrapment of contaminants can be modeled as a classic mass transport problem, which employs the conventional convection–dispersion equation to predict the transport of species existing in trace amounts. Using the volume-averaging method (VAM), the upscaling has revealed two possible macroscopic equations for predicting contaminant concentrations in the filters. The first equation is the classical convection–dispersion equation, which incorporates a total dispersion tensor. The second equation involves an additional transport coefficient, identified as the adsorption-induced vector. In this study, the aforementioned equations were solved in 1D for column tests using 3D unit cells. The simulated breakthrough curves (BTCs), using the proposed micro–macro-coupling-based VAM model, are compared with the direct numerical simulation (DNS) results based on BCC-type unit cells arranged one-after-another in a daisy chain manner, as well as with three previously reported experimental works, in which the functionalized zeolite and zero-valent iron fillings were used as an adsorbent to remove phosphorous and arsenic from water, respectively. The disagreement of VAM BTC predictions with DNS and experimental results reveals the need for an alternative closure formulation in VAM. Detailed investigations reveal time constraint violations in all the three cases, suggesting this as the main cause of VAM’s failure. Full article
(This article belongs to the Special Issue New Insights into Porous Materials in Adsorption and Catalysis)
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20 pages, 2960 KiB  
Article
Biosorption of Cd(II), Co(II), and Cu(II) onto Microalgae under Acidic and Neutral Conditions
by Jesse T. Phiri and Sanghwa Oh
Sustainability 2024, 16(15), 6342; https://doi.org/10.3390/su16156342 - 24 Jul 2024
Cited by 4 | Viewed by 1393
Abstract
The biosorption of Cd, Co, and Cu onto three microalgae species (Chlorella vulgaris, Scenedesmus sp., and Spirulina platensis) was compared to determine the microalgae’s capability for heavy metal adsorption in acidic and neutral environments. The Langmuir, Freundlich, and Dubinin–Radushkevich isotherm models were [...] Read more.
The biosorption of Cd, Co, and Cu onto three microalgae species (Chlorella vulgaris, Scenedesmus sp., and Spirulina platensis) was compared to determine the microalgae’s capability for heavy metal adsorption in acidic and neutral environments. The Langmuir, Freundlich, and Dubinin–Radushkevich isotherm models were used to characterize the adsorption of the heavy metals onto microalgae. The maximum adsorption capacity (qmax) determined using the Langmuir and D-R model showed results in the order of Cu > Co > Cd in both acidic and neutral conditions. A shift from acidic to neutral conditions increased the microalgae’s adsorption affinity for heavy metals, as determined using the Freundlich parameter (KF). The adsorption affinity of the biomass for Cd and Co was in the order S. platensis > C. vulgaris > Scenedesmus sp. while that of Cu was in the order C. vulgaris > Scenedesmus sp. > S. platensis. In addition, it was found that the adsorption of Cd and Co enhanced the production of Dissolved Organic Content (DOC) as a byproduct of biosorption, whereas the adsorption of Cu appeared to suppress the generation of DOC. The mean adsorption energy (E) values computed by the D-R model were less than 8 (kJ/mol), indicating that physisorption was the primary force of sorption in both acidic and neutral settings. The findings of this study suggest that microalgae may be used as a low-cost adsorbent for metal removal from industrial effluent. Full article
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9 pages, 2419 KiB  
Proceeding Paper
Bagasse-Based Cellulose Nanocrystal–Magnetic Iron Oxide Nanocomposite for Removal of Chromium (VI) from Aqua Media
by Evans Suter, Hilary Rutto, Tumisangs Seodigeng, Lewis Kiambi and Wesley Omwoyo
Eng. Proc. 2024, 67(1), 5; https://doi.org/10.3390/engproc2024067005 - 11 Jul 2024
Cited by 6 | Viewed by 971
Abstract
This research developed a low-cost nano-bio-adsorbent using sugar cane bagasse-based nanocrystals incorporated with magnetic iron oxide nanoparticles (CNCs-MIONPs). The adsorbent demonstrated excellent Cr(VI) adsorption efficiency at an optimal pH of 2.0, an initial concentration of 0.5 mg/L, and a contact time of 90 [...] Read more.
This research developed a low-cost nano-bio-adsorbent using sugar cane bagasse-based nanocrystals incorporated with magnetic iron oxide nanoparticles (CNCs-MIONPs). The adsorbent demonstrated excellent Cr(VI) adsorption efficiency at an optimal pH of 2.0, an initial concentration of 0.5 mg/L, and a contact time of 90 min with a shaking rate of 250 rpm, achieving a removal efficiency of 91.78%. The increased surface area, smaller particle size, and the nanocomposite’s active sites facilitated chromium species’ immobilisation, enhancing chromate ion removal. The adsorption process involved chemisorption, where valence forces such as electron sharing or exchange occur between the adsorbate and sorbent. The modified CNCs-MIONPs showed improved sorption efficiency, suggesting potential applications in water treatment plants, both for domestic and industrial wastewater. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Processes)
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20 pages, 8536 KiB  
Article
Innovative Bi5O7I/MIL-101(Cr) Compounds: A Leap Forward in Photocatalytic Tetracycline Removal
by Jie Hong, Zhaohan Chu, Claudia Li, Wanliang Yang, Sibudjing Kawi and Qinong Ye
Int. J. Mol. Sci. 2024, 25(12), 6759; https://doi.org/10.3390/ijms25126759 - 19 Jun 2024
Cited by 4 | Viewed by 1439
Abstract
In environmental chemistry, photocatalysts for eliminating organic contaminants in water have gained significant interest. Our study introduces a unique heterostructure combining MIL-101(Cr) and bismuth oxyiodide (Bi5O7I). We evaluated this nanostructure’s efficiency in adsorbing and degrading tetracycline (TC) under visible [...] Read more.
In environmental chemistry, photocatalysts for eliminating organic contaminants in water have gained significant interest. Our study introduces a unique heterostructure combining MIL-101(Cr) and bismuth oxyiodide (Bi5O7I). We evaluated this nanostructure’s efficiency in adsorbing and degrading tetracycline (TC) under visible light. The Bi5O7I@MIL-101(Cr) composite, with a surface area of 637 m2/g, prevents self-aggregation seen in its components, enhancing visible light absorption. Its photocatalytic efficiency surpassed Bi5O7I and MIL-101(Cr) by 33.4 and 9.2 times, respectively. Comprehensive analyses, including scanning electron microscopy (SEM) and transmission electron microscopy (TEM), confirmed the successful formation of the heterostructure with defined morphological characteristics. BET analysis demonstrated its high surface area, while X-ray diffraction (XRD) confirmed its crystallinity. Electron spin resonance (ESR) tests showed significant generation of reactive oxygen species (ROS) like h+ and·•O2 under light, crucial for TC degradation. The material maintained exceptional durability over five cycles. Density functional theory (DFT) simulations and empirical investigations revealed a type I heterojunction between Bi5O7I and MIL-101(Cr), facilitating efficient electron–hole pair separation. This study underscores the superior photocatalytic activity and stability of Bi5O7I@MIL-101(Cr), offering insights into designing innovative photocatalysts for water purification. Full article
(This article belongs to the Section Materials Science)
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12 pages, 3818 KiB  
Article
Electro-Reactivity of Resorcinol on Pt(111) Single-Crystal Plane and Its Influence on the Kinetics of Underpotentially Deposited Hydrogen and Hydrogen Evolution Reaction Processes in 0.1 M NaOH Solution
by Bogusław Pierożyński, Mateusz Kuczyński and Tomasz Mikołajczyk
Crystals 2024, 14(6), 545; https://doi.org/10.3390/cryst14060545 - 12 Jun 2024
Cited by 2 | Viewed by 979
Abstract
This article primarily presents cyclic voltammetry, Tafel polarization and ac. impedance spectroscopy electrochemical examinations of resorcinol (RC) electro-reactivity on the Pt(111) surface and its influence on the kinetics of UPD H (underpotentially deposited hydrogen) and the HER (hydrogen evolution reaction) in a [...] Read more.
This article primarily presents cyclic voltammetry, Tafel polarization and ac. impedance spectroscopy electrochemical examinations of resorcinol (RC) electro-reactivity on the Pt(111) surface and its influence on the kinetics of UPD H (underpotentially deposited hydrogen) and the HER (hydrogen evolution reaction) in a 0.1 M NaOH supporting solution. The collected data provided evidence of the RC-ion’s surface adsorption and its further electroreduction in the presence of surface-adsorbed H radicals along with their primary beneficial role on the kinetics of the UPD H process. The above was elucidated through an evaluation of the associated charge-transfer resistance and capacitance parameters, and was carried out on the platinum (111) electrode plane, comparatively, for the RC-free and resorcinol-modified NaOH electrolyte. In addition, the recorded cathodic charge transients (obtained by injecting small amounts of RC-based 0.1 M NaOH solution to initially resorcinol-free electrolyte, carried out at the constant electrode potential characteristic to the UPD H potential zone) provided evidence that the RC species undergoes electrocatalytic reduction through the involvement of the Pt(111)-chemisorbed hydrogen radicals. Full article
(This article belongs to the Special Issue Materials for Applications in Water Splitting and Battery)
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12 pages, 1833 KiB  
Article
Adsorption Behaviour of Pb and Cd on Graphene Oxide Nanoparticle from First-Principle Investigations
by Preslie Sala Nianga-Obambi, Dick Hartmann Douma, Anne Justine Etindele, Abdulrafiu Tunde Raji, Brice Rodrigue Malonda-Boungou, Bernard M’Passi-Mabiala and Stephane Kenmoe
Materials 2024, 17(12), 2831; https://doi.org/10.3390/ma17122831 - 10 Jun 2024
Cited by 1 | Viewed by 1394
Abstract
Graphene oxide (GO) is considered as a promising adsorbent material for the removal of metal from aqueous environments. Here, we have used the density functional theory (DFT) approach and a combination of parameters to characterise the interactions of GO with lead (Pb) and [...] Read more.
Graphene oxide (GO) is considered as a promising adsorbent material for the removal of metal from aqueous environments. Here, we have used the density functional theory (DFT) approach and a combination of parameters to characterise the interactions of GO with lead (Pb) and cadmium (Cd), i.e., typical harmful metals often found in water. Our model systems consist of a singly and doubly adsorbed neutral (Pb0, Cd0) and charged (Pb2+, Cd2+) atoms adsorbed on the GO nanoparticle of the chemical formula C30H14O15. We show that a single charged metal ion binds more strongly than a neutral atom of the same type. Moreover, to determine the possibility of multiple adsorptions of the GO nanoparticle, two metal atoms of the same species were co-adsorbed on its surface. We found a site-dependent adsorption energy such that when two atoms of the same specie are adsorbed at sites Si and Sj, the binding energy per atom depends on whether one of the two atoms is adsorbed firstly on the Si or Sj sites. Furthermore, the binding energy per atom for the two co-adsorbed atoms of the same specie (i.e., neutral or charged) is less than the binding energy of a singly adsorbed atom. This suggests that atoms may become less likely to be adsorbed on the GO nanoparticle when their concentration increases. We adduce the origin of this observation to be interplay between the metal–metal interaction on the one hand and GO–metal on the other, with the former resulting in less binding for the charged adsorbed metals in particular, due to repulsive interaction between two positively charged ions. The frontier molecular orbitals analysis and the calculated global reactivity descriptors of the respective GO–metal complexes revealed that all the GO–metal complexes have a smaller HOMO–LUMO gap (HLG) relative to that of pristine metal-free GO nanoparticle. This may indicate that although the GO–metal complexes are stable, they are less stable compared to metal-free GO nanoparticles. The negative values of the chemical potentials obtained for all the GO–metal complexes further confirm their stability. Our work differs from previous experimental studies in that those lacked details of the interaction mechanisms between GO, Pb and Cd, as well as previous theoretical studies which used limited numbers of parameters to characterise the GO–metal interactions. Rather, we present a set of parameters or descriptors which provide comprehensive physical and electronic characterisation of GO–metal systems as obtained via the DFT calculations. These parameters, along with those reported in previous studies, may find applications in rational design and high-throughput screening of graphene-based materials for water purification, as an example. Full article
(This article belongs to the Special Issue Metal Oxide Semiconductors: Synthesis, Structure, and Applications)
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