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Keywords = MgZnO monolayer

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18 pages, 2652 KiB  
Article
The Use of a Composite of Modified Construction Aggregate and Activated Carbon for the Treatment of Groundwater Contaminated with Heavy Metals and Chlorides
by Katarzyna Pawluk, Marzena Lendo-Siwicka, Grzegorz Wrzesiński, Sylwia Szymanek and Osazuwa Young Osawaru
Materials 2025, 18(15), 3437; https://doi.org/10.3390/ma18153437 - 22 Jul 2025
Viewed by 225
Abstract
The treatment of contaminants from road infrastructure poses significant challenges due to their variable composition and the high concentrations of chloride ions, heavy metals, and oil-derived substances. Traditional methods for protecting groundwater environments are often insufficient. A promising alternative is permeable reactive barrier [...] Read more.
The treatment of contaminants from road infrastructure poses significant challenges due to their variable composition and the high concentrations of chloride ions, heavy metals, and oil-derived substances. Traditional methods for protecting groundwater environments are often insufficient. A promising alternative is permeable reactive barrier (PRB) technology, which utilizes recycled materials and construction waste as reactive components within the treatment zone of the ground. This paper delves into the potential of employing a composite (MIX) consisting of modified construction aggregate (as recycled material) and activated carbon (example of reactive material) to address environmental contamination from a mixture of heavy metals and chloride. The research involved chemical modifications of the road aggregate, activated carbon, and their composite, followed by laboratory tests in glass reactors and non-flow batch tests to evaluate the kinetics and chemical equilibrium of the reactions. The adsorption process was stable and conformed to the pseudo-second-order kinetics and Langmuir, Toth, and Redlich–Peterson isotherm models. Studies using MIX from a heavy metal model solution showed that monolayer adsorption was a key mechanism for removing heavy metals, with strong fits to the Langmuir (R2 > 0.80) and Freundlich models, and optimal efficiencies for Cd and Ni (R2 > 0.90). The best fit, at Cd, Cu, Ni = 0.96, however, was with the Redlich–Peterson isotherm, indicating a mix of physical and chemical adsorption on heterogeneous surfaces. The Toth model was significant for all analytes, fitting Cl and Cd well and Pb and Zn moderately. The modifications made to the composite significantly enhanced its effectiveness in removing the contaminant mixture. The test results demonstrated an average reduction of chloride by 85%, along with substantial removals of heavy metals: lead (Pb) by 90%, cadmium (Cd) by 86%, nickel (Ni) by 85%, copper (Cu) by 81%, and zinc (Zn) by 79%. Further research should focus on the removal of other contaminants and the optimization of magnesium oxide (MgO) dosage. Full article
(This article belongs to the Special Issue Recovered or Recycled Materials for Composites and Other Materials)
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15 pages, 9778 KiB  
Article
Zn/Cr-MOFs/TiO2 Composites as Adsorbents for Levofloxacin Hydrochloride Removal
by Fuhua Wei, Qin Zhang, Qinhui Ren, Hongliang Chen, Yutao Zhang and Zhao Liang
Molecules 2024, 29(18), 4477; https://doi.org/10.3390/molecules29184477 - 20 Sep 2024
Cited by 6 | Viewed by 1019
Abstract
The Zn/Cr-MOFs/TiO2 composites were synthesized using the solvothermal method. XRD, FTIR, and SEM techniques were utilized to characterize the Zn/Cr-MOFs/TiO2 composites employed for simulating levofloxacin hydrochloride in wastewater. The impact of the mass of the Zn/Cr-MOFs/TiO2 composite, concentration of levofloxacin [...] Read more.
The Zn/Cr-MOFs/TiO2 composites were synthesized using the solvothermal method. XRD, FTIR, and SEM techniques were utilized to characterize the Zn/Cr-MOFs/TiO2 composites employed for simulating levofloxacin hydrochloride in wastewater. The impact of the mass of the Zn/Cr-MOFs/TiO2 composite, concentration of levofloxacin hydrochloride, solution pH, and temperature on the adsorption performance was investigated. Experimental findings indicated that at pH 6, the maximum removal efficiency of levofloxacin hydrochloride by the Zn/Cr-MOFs/TiO2 composite was achieved at 88.8%, with an adsorption capacity of 246.3 mg/g. To analyze the experimental data, both pseudo-first-order and pseudo-second-order kinetics models were applied, revealing that the pseudo-second-order model provided a better fit to the data. Additionally, Langmuir and Freundlich isotherm models were used to study equilibrium adsorption behavior and showed good agreement with both kinetic modeling and Langmuir isotherm analysis results. These observations suggest that monolayer adsorption predominates during the removal process of levofloxacin hydrochloride by Zn/Cr-MOFs/TiO2 composites. Full article
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27 pages, 7417 KiB  
Article
Enhancing Methylene Blue Removal through Adsorption and Photocatalysis—A Study on the GO/ZnTiO3/TiO2 Composite
by Ximena Jaramillo-Fierro and Guisella Cuenca
Int. J. Mol. Sci. 2024, 25(8), 4367; https://doi.org/10.3390/ijms25084367 - 15 Apr 2024
Cited by 15 | Viewed by 2822
Abstract
This study focuses on synthesizing and characterizing a graphene oxide/ZnTiO3/TiO2 (GO/ZTO/TO) composite to efficiently remove methylene blue (MB) from water, presenting a novel solution to address industrial dye pollution. GO and ZTO/TO were synthesized by the modified Hummers and sol–gel [...] Read more.
This study focuses on synthesizing and characterizing a graphene oxide/ZnTiO3/TiO2 (GO/ZTO/TO) composite to efficiently remove methylene blue (MB) from water, presenting a novel solution to address industrial dye pollution. GO and ZTO/TO were synthesized by the modified Hummers and sol–gel methods, respectively, while GO/ZTO/TO was prepared using a hydrothermal process. The structural and surface properties of the composite were characterized using various analytical techniques confirming the integration of the constituent materials and suitability for dye adsorption. The study revealed that GO/ZTO/TO exhibits an adsorption capacity of 78 mg g−1 for MB, with only a 15% reduction in adsorption efficiency until the fifth reuse cycle. Furthermore, the study suggests optimal adsorption near neutral pH and enhanced performance at elevated temperatures, indicating an endothermic reaction. The adsorption behavior fits the Langmuir isotherm, implying monolayer adsorption on homogeneous surfaces, and follows pseudo-second-order kinetics, highlighting chemical interactions at the surface as the rate-limiting step. The photocatalytic degradation of MB by GO/ZTO/TO follows pseudo-first-order kinetics, with a higher rate constant than that of GO alone, demonstrating the enhanced photocatalytic activity of the composite. In conclusion, GO/ZTO/TO emerges as a promising and sustainable approach for water purification, through an adsorption process and subsequent photocatalytic degradation. Full article
(This article belongs to the Special Issue Photo(electro)catalysts: Design, Synthesis and Molecular Applications)
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18 pages, 3376 KiB  
Article
Environmental Potential of Carbonized MOF-5/PANI Composites for Pesticide, Dye, and Metal Cations—Can They Actually Retain Them All?
by Anka Jevremović, Marjetka Savić, Aleksandra Janošević Ležaić, Jugoslav Krstić, Nemanja Gavrilov, Danica Bajuk-Bogdanović, Maja Milojević-Rakić and Gordana Ćirić-Marjanović
Polymers 2023, 15(22), 4349; https://doi.org/10.3390/polym15224349 - 7 Nov 2023
Cited by 4 | Viewed by 1974
Abstract
The environmental application of the carbonized composites of the Zn-containing metal-organic framework MOF-5 and polyaniline (PANI) in its emeraldine salt and base forms (C-(MOF-5/PANI)) was investigated for the first time. Textural properties and particle size distributions revealed that composites are dominantly mesoporous and [...] Read more.
The environmental application of the carbonized composites of the Zn-containing metal-organic framework MOF-5 and polyaniline (PANI) in its emeraldine salt and base forms (C-(MOF-5/PANI)) was investigated for the first time. Textural properties and particle size distributions revealed that composites are dominantly mesoporous and nanoscale in nature, while Raman spectroscopy revealed the ZnO phase beneath the carbon matrix. Adsorption of pesticide, dye, and metal cation on C-(MOF-5/PANI) composites in aqueous solutions was evaluated and compared with the behavior of the precursor components, carbonized MOF-5 (cMOF), and carbonized PANIs. A lower MOF-5 content in the precursor, a higher specific surface area, and the pore volume of the composites led to improved adsorption performance for acetamiprid (124 mg/g) and Methylene Blue (135 mg/g). The presence of O/N functional groups in composites is essential for the adsorption of nitrogen-rich pollutants through hydrogen bonding with an estimated monolayer capacity twice as high as that of cMOF. The proton exchange accompanying Cd2+ retention was associated with the Zn/Cd ion exchange, and the highest capacity (9.8 mg/g) was observed for the composite synthesized from the precursor with a high MOF-5 content. The multifunctionality of composites was evidenced in mixtures of pollutants where noticeably better performance for Cd2+ removal was found for the composite compared to cMOF. Competitive binding between three pollutants favored the adsorption of pesticide and dye, thereby hindering to some extent the ion exchange necessary for the removal of metal cations. The results emphasize the importance of the PANI form and MOF-5/PANI weight ratio in precursors for the development of surface, porosity, and active sites in C-(MOF-5/PANI) composites, thus guiding their environmental efficiency. The study also demonstrated that C-(MOF-5/PANI) composites retained studied pollutants much better than carbonized precursor PANIs and showed comparable or better adsorption ability than cMOF. Full article
(This article belongs to the Special Issue Functional Polymer Composites for Emerging Contaminants Control)
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19 pages, 4623 KiB  
Article
Biosorption of Escherichia coli Using ZnO-Trimethyl Chitosan Nanocomposite Hydrogel Formed by the Green Synthesis Route
by Ibrahim Birma Bwatanglang, Faruq Mohammad, John Nahadi Janet, Wasmia Mohammed Dahan, Hamad A. Al-Lohedan and Ahmed A. Soleiman
Gels 2023, 9(7), 581; https://doi.org/10.3390/gels9070581 - 17 Jul 2023
Cited by 3 | Viewed by 1935
Abstract
In this study, we tested the biosorption capacity of trimethyl chitosan (TMC)-ZnO nanocomposite (NC) for the adsorptive removal of Escherichia coli (E. coli) in aqueous suspension. For the formation of ZnO NPs, we followed the green synthesis route involving Terminalia mantaly [...] Read more.
In this study, we tested the biosorption capacity of trimethyl chitosan (TMC)-ZnO nanocomposite (NC) for the adsorptive removal of Escherichia coli (E. coli) in aqueous suspension. For the formation of ZnO NPs, we followed the green synthesis route involving Terminalia mantaly (TM) aqueous leaf extract as a reducing agent, and the formed ZnO particles were surface-coated with TMC biopolymer. On testing of the physicochemical characteristics, the TM@ZnO/TMC (NC) hydrogel showed a random spherical morphology with an average size of 31.8 ± 2.6 nm and a crystal size of 28.0 ± 7.7 nm. The zeta potential of the composite was measured to be 23.5 mV with a BET surface area of 3.01 m2 g−1. The spectral profiles of TM@ZnO/TMC NC hydrogel on interaction with Escherichia coli (E. coli) revealed some conformational changes to the functional groups assigned to the stretching vibrations of N-H, C-O-C, C-O ring, and C=O bonds. The adsorption kinetics of TM@ZnO/TMC NC hydrogel revealed the pseudo-second-order as the best fit mechanism for the E. coli biosorption. The surface homogeneity and monolayer adsorption of the TM@ZnO/TMC NC hydrogel reflects majorly the entire adsorption mechanism, observed to display the highest correlation for Jovanovic, Redlich–Peterson, and Langmuir’s isotherm models. Further, with the use of TM@ZnO/TMC NC hydrogel, we measured the highest adsorption capacity of E. coli to be 4.90 × 10 mg g−1, where an in-depth mechanistic pathway was proposed by making use of the FTIR analysis. Full article
(This article belongs to the Special Issue Gel Encapsulated Nanoparticles)
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16 pages, 5262 KiB  
Article
Fast and Effective Removal of Congo Red by Doped ZnO Nanoparticles
by Sachin, Biplob Kumar Pramanik, Nahar Singh, Rumbidzai Zizhou, Shadi Houshyar, Ivan Cole and Hong Yin
Nanomaterials 2023, 13(3), 566; https://doi.org/10.3390/nano13030566 - 30 Jan 2023
Cited by 13 | Viewed by 3222
Abstract
ZnO nanoparticles (NPs) show remarkable efficiency in removing various contaminants from aqueous systems. Doping ZnO NPs with a second metal element can dramatically change the physicochemical properties of the pristine nanoparticles. However, there have been limited reports on the absorption of doped ZnO [...] Read more.
ZnO nanoparticles (NPs) show remarkable efficiency in removing various contaminants from aqueous systems. Doping ZnO NPs with a second metal element can dramatically change the physicochemical properties of the pristine nanoparticles. However, there have been limited reports on the absorption of doped ZnO NPs, especially comparing the performance of ZnO NPs with different doping elements. Herein, ZnO NPs were doped with three transitional metals (Co, Fe, and Mn) at a nominal 2 wt.%. The particle surface had a higher dopant concentration than the interior for all NPs, implying the migration of the dopants to the surface. Because doping atoms inhibited grain growth, the doped ZnO NPs had a small particle size and a large surface area. The adsorption performance followed the order of Fe-doped < undoped < Mn-doped < Co-doped ZnO. Co-doped ZnO had an increased surface area and less tendency to agglomerate in an aqueous solution, showing the best adsorption performance. The adsorption of Congo red (CR) on Co-doped ZnO followed the pseudo-second-order model and the Langmuir isotherm. The adsorption process was spontaneous through monolayer chemisorption, and the maximum adsorption capacity was 230 mg/g. Finally, the Co-doped ZnO was successfully incorporated into an alginate membrane by electrospinning. The membrane demonstrated excellent adsorption performance and had great potential as an innovative and low-cost adsorbent (inexpensive raw materials and simple processing) for wastewater purification. Full article
(This article belongs to the Special Issue Nanomaterials for Detection and Removal of Organic Pollutants)
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19 pages, 2036 KiB  
Article
Efficient Adsorption of Methyl Orange on Nanoporous Carbon from Agricultural Wastes: Characterization, Kinetics, Thermodynamics, Regeneration and Adsorption Mechanism
by Yosra Raji, Ayoub Nadi, Marwane Rouway, Sara Jamoudi Sbai, Wafaa Yassine, Abdelfattah Elmahbouby, Omar Cherkaoui and Souad Zyade
J. Compos. Sci. 2022, 6(12), 385; https://doi.org/10.3390/jcs6120385 - 12 Dec 2022
Cited by 10 | Viewed by 3230
Abstract
Nanoporous carbon derived from Moringa oleifera seed waste was synthesized by an original process of flash pyrolysis followed by zinc chloride impregnation. The N2-adsorption–desorption results of the optimized sample revealed a BET surface area of 699.6 m2/g and a [...] Read more.
Nanoporous carbon derived from Moringa oleifera seed waste was synthesized by an original process of flash pyrolysis followed by zinc chloride impregnation. The N2-adsorption–desorption results of the optimized sample revealed a BET surface area of 699.6 m2/g and a pore size of 2 nm. It was evaluated for the adsorption of a mono azo dye, methyl orange (MeO), from aqueous solution. Four isothermal models (Langmuir, Freundlich, Dubinin–Radushkevic and Temkin) were applied to fit the experimental data. The results revealed that Langmuir is the most appropriate isothermal adsorption model to describe the adsorption process (X2 = 1.16); with an adsorption capacity 367.83 mg/g at 298 K, the interaction of MeO dye with the nanoporous carbon surface is a localized monolayer adsorption. The adsorption kinetics was consistent with the pseudo-second-order model and found to correlate well with the experimental data (X2 = 9.06). The thermodynamic study revealed a spontaneous and endothermic adsorption process, and the substances are adsorbed in a random manner. The desorption of MeO dye from MOC-ZnCl2 by sodium hydroxide solution was achieved to a level of about 84%, and the nanoporous carbon was recycled and reused at the fifth cycle. This work demonstrates that MOC-ZnCl2 could be employed as an alternative to commercially available activated carbon in the removal of dyes from wastewater. Full article
(This article belongs to the Special Issue Lightweight Composites Materials: Sustainability and Applications)
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21 pages, 4038 KiB  
Article
Activated Carbon/ZnFe2O4 Nanocomposite Adsorbent for Efficient Removal of Crystal Violet Cationic Dye from Aqueous Solutions
by Tahani Saad Algarni, Amal M. Al-Mohaimeed, Abdel-Basit Al-Odayni and Naaser A. Y. Abduh
Nanomaterials 2022, 12(18), 3224; https://doi.org/10.3390/nano12183224 - 16 Sep 2022
Cited by 31 | Viewed by 3091
Abstract
The aim of this study was to investigate the potential advantage of ZnFe2O4-incorporated activated carbon (ZFAC), fabricated via a simple wet homogenization, on the removal of cationic dye crystal violet (CV) from its aqueous solutions. The as-prepared ZFAC nanocomposite [...] Read more.
The aim of this study was to investigate the potential advantage of ZnFe2O4-incorporated activated carbon (ZFAC), fabricated via a simple wet homogenization, on the removal of cationic dye crystal violet (CV) from its aqueous solutions. The as-prepared ZFAC nanocomposite was characterized using Fourier transform infrared (FTIR), X-ray diffraction (XRD), nitrogen adsorption, scanning electron microscope (SEM), thermogravimetric analysis (TGA), and ultraviolet–visible (UV–Vis). Batch adsorption operating conditions such as the pH (3–11), CV concentration (25–200 ppm), ZFAC dose (10–50 mg), temperature (23–45 °C), and contact time were evaluated. The results indicate pH-dependent uptake (optimum at pH 7.2) increased with temperature and CV concentration increase and decreased as adsorbent dose increased. Modeling of experimental data revealed better fit to the Langmuir than Freundlich and Temkin isotherms, with maximum monolayer capacities (Qm) of 208.29, 234.03, and 246.19 mg/g at 23, 35, and 45 °C, respectively. Kinetic studies suggest pseudo-second order; however, the intra-particle diffusion model indicates a rate-limiting step controlled by film diffusion mechanism. Based on the thermodynamic parameters, the sorption is spontaneous (−ΔG°), endothermic (+ΔH°), and random process (+ΔS°), and their values support the physical adsorption mechanism. In addition to the ease of preparation, the results confirm the potential of ZFAC as a purifier for dye removal from polluted water. Full article
(This article belongs to the Special Issue Nanoscale Materials for Water Purification and Catalysis)
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23 pages, 8116 KiB  
Article
Titan Yellow and Congo Red Removal with Superparamagnetic Iron-Oxide-Based Nanoparticles Doped with Zinc
by Paulina Pietrzyk, Nguyen Thu Phuong, Sunday Joseph Olusegun, Nguyen Hong Nam, Dinh Thi Mai Thanh, Michael Giersig, Paweł Krysiński and Magdalena Osial
Magnetochemistry 2022, 8(8), 91; https://doi.org/10.3390/magnetochemistry8080091 - 14 Aug 2022
Cited by 21 | Viewed by 3815
Abstract
In this work, we present magnetic nanoparticles based on iron oxide doped with zinc synthesized using the wet co-precipitation method for environmental application. The morphology of the samples was revealed by SEM and TEM, which showed particles of granular shape and size of [...] Read more.
In this work, we present magnetic nanoparticles based on iron oxide doped with zinc synthesized using the wet co-precipitation method for environmental application. The morphology of the samples was revealed by SEM and TEM, which showed particles of granular shape and size of about 15 nm. The specific surface areas of the materials using the BET method were within the range of 85.7 to 101.5 m2 g−1 depending on the zinc content in the superparamagnetic iron oxide nanoparticles (SPIONs). Magnetometry was performed to determine the magnetic properties of the particles, indicating superparamagnetism. Synthesized magnetic nanoparticles with different amounts of zinc dopant were used as an adsorbent to remove model pollutant Titan yellow (TY) from the aqueous solutions. Adsorption was determined by investigating the effects of sorbent amount, dye concentration, and contact time. The synthesized material removed Titan yellow quickly and efficiently within the physical adsorption. The adsorption isotherms were consistent with the models proposed by Langmuir and Redlich-Peterson. The monolayer adsorption capacities were 30 and 43 mg g−1 for Fe3O4 and Fe3O4@10%Zn, respectively, for the removal of TY. However, that of Congo red is 59 mg g−1 by Fe3O4@10%Zn. The proposed nanoparticles offer fast and cost-effective water purification, and they can be separated from solution using magnets. Full article
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22 pages, 6337 KiB  
Article
Synthesis and Characterization of Green ZnO@polynaniline/Bentonite Tripartite Structure (G.Zn@PN/BE) as Adsorbent for As (V) Ions: Integration, Steric, and Energetic Properties
by Mohamed Abdel Salam, Mohamed Mokhtar, Soha M. Albukhari, Doaa F. Baamer, Leonardo Palmisano, Mariusz Jaremko and Mostafa R. Abukhadra
Polymers 2022, 14(12), 2329; https://doi.org/10.3390/polym14122329 - 9 Jun 2022
Cited by 61 | Viewed by 3272
Abstract
A green ZnO@polynaniline/bentonite composite (G.Zn@PN/BE) was synthesized as an enhanced adsorbent for As (V) ions. Its adsorption properties were assessed in comparison with the integrated components of bentonite (BE) and polyaniline/bentonite (PN/BE) composites. The G.Zn@PN/BE composite achieved an As (V) retention capacity (213 [...] Read more.
A green ZnO@polynaniline/bentonite composite (G.Zn@PN/BE) was synthesized as an enhanced adsorbent for As (V) ions. Its adsorption properties were assessed in comparison with the integrated components of bentonite (BE) and polyaniline/bentonite (PN/BE) composites. The G.Zn@PN/BE composite achieved an As (V) retention capacity (213 mg/g) higher than BE (72.7 mg/g) and PN/BE (119.8 mg/g). The enhanced capacity of G.Zn@PN/BE was studied using classic (Langmuir) and advanced equilibrium (monolayer model of one energy) models. Considering the steric properties, the structure of G.Zn@PN/BE demonstrated a higher density of active sites (Nm = 109.8 (20 °C), 108.9 (30 °C), and 67.8 mg/g (40 °C)) than BE and PN/BE. This declared the effect of the integration process in inducing the retention capacity by increasing the quantities of the active sites. The number of adsorbed As (V) ions per site (1.76 up to 2.13) signifies the retention of two or three ions per site by a multi-ionic mechanism. The adsorption energies (from −3.07 to −3.26 kJ/mol) suggested physical retention mechanisms (hydrogen bonding and dipole bonding forces). The adsorption energy, internal energy, and free enthalpy reflected the exothermic, feasible, and spontaneous nature of the retention process. The structure is of significant As (V) uptake capacity in the existence of competitive anions or metal ions. Full article
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11 pages, 1810 KiB  
Article
Realization of Deep UV Plasmonic Enhancement to Photo Response through Al Mesh
by Gaoming Li, Jingwen Zhang, Yaoting Hu and Yongning He
Materials 2020, 13(15), 3252; https://doi.org/10.3390/ma13153252 - 22 Jul 2020
Cited by 1 | Viewed by 2141
Abstract
High-performance UV detectors are of great significance for various applications. Plasmonic structures enable great improvement of the performance of detectors. However, to push the plasmonic enhancement to photo response into the deep-UV region presents some challenges. In this work, we found that the [...] Read more.
High-performance UV detectors are of great significance for various applications. Plasmonic structures enable great improvement of the performance of detectors. However, to push the plasmonic enhancement to photo response into the deep-UV region presents some challenges. In this work, we found that the optical properties of the supporting layer play important roles in achieving the optimal plasmonic enhancement. Therefore, we fully considered the dependence of the optical constants of the MgZnO supporting layer, which is a promising material to realize deep-UV photodetectors, on microstructure and crystalline quality, which are related to the fabrication method. Based on the optical constants, we designed an Al mesh plasmonic structure and fabricated it with a polystyrene monolayer as a mask. Finally, we demonstrated a three-times enhancement to photo response with UV radiation at 254 nm. Full article
(This article belongs to the Special Issue Photonic Materials and Devices)
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16 pages, 3795 KiB  
Article
Sewage Sludge ZnCl2-Activated Carbon Intercalated MgFe–LDH Nanocomposites: Insight of the Sorption Mechanism of Improved Removal of Phenol from Water
by Nuhu Dalhat Mu’azu, Mukarram Zubair, Nabeel Jarrah, Omar Alagha, Mamdouh A. Al-Harthi and Mohammed H. Essa
Int. J. Mol. Sci. 2020, 21(5), 1563; https://doi.org/10.3390/ijms21051563 - 25 Feb 2020
Cited by 24 | Viewed by 3120
Abstract
This work reports the synthesis of new layered double hydroxide (LDH) composites using sewage-based ZnCl2-activated carbon (AC) intercalated with MgFe (AC-MgFe-LDH) and an evaluation of their adsorptive performance for phenol removal from water. The effect of the AC loading on the [...] Read more.
This work reports the synthesis of new layered double hydroxide (LDH) composites using sewage-based ZnCl2-activated carbon (AC) intercalated with MgFe (AC-MgFe-LDH) and an evaluation of their adsorptive performance for phenol removal from water. The effect of the AC loading on the final properties of synthesized composites was investigated via various characterization techniques. The results showed efficient decoration at 0.1–0.25 g AC loading within the layers of AC–MgFe composites LDH, which was reflected in the higher surface area (233.75 m2/g) and surface functionalities (OH, NO3, C-O-C, and MMO) yielding a significant improvement of the phenol removal efficiency. However, at higher contents, AC loading led to the breakage of the LDH structure and agglomeration, as indicated by the deterioration in the textural and structural properties. The isotherm and kinetic data were well fitted by the Langmuir and pseudo-second-order model, respectively, with a maximum obtained monolayer adsorption capacity of 138.69 mg/g. The thermodynamics results demonstrated that phenol adsorption is an endothermic process. The sorption mechanism of phenol molecules on the AC–MgFe composite was governed by chemical bonding with OH, C=O, and MMO groups and pore diffusion via π–π interactions. Superior phenol removal with excellent recyclability up to five cycles of the new AC–MgFe composite suggested its use as a potential adsorbent for effective phenol removal from water and wastewater streams. Full article
(This article belongs to the Section Materials Science)
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12 pages, 2007 KiB  
Article
First-Principles Investigation of Phase Stability, Electronic Structure and Optical Properties of MgZnO Monolayer
by Changlong Tan, Dan Sun, Xiaohua Tian and Yuewu Huang
Materials 2016, 9(11), 877; https://doi.org/10.3390/ma9110877 - 27 Oct 2016
Cited by 22 | Viewed by 7168
Abstract
MgZnO bulk has attracted much attention as candidates for application in optoelectronic devices in the blue and ultraviolet region. However, there has been no reported study regarding two-dimensional MgZnO monolayer in spite of its unique properties due to quantum confinement effect. Here, using [...] Read more.
MgZnO bulk has attracted much attention as candidates for application in optoelectronic devices in the blue and ultraviolet region. However, there has been no reported study regarding two-dimensional MgZnO monolayer in spite of its unique properties due to quantum confinement effect. Here, using density functional theory calculations, we investigated the phase stability, electronic structure and optical properties of MgxZn1−xO monolayer with Mg concentration x range from 0 to 1. Our calculations show that MgZnO monolayer remains the graphene-like structure with various Mg concentrations. The phase segregation occurring in bulk systems has not been observed in the monolayer due to size effect, which is advantageous for application. Moreover, MgZnO monolayer exhibits interesting tuning of electronic structure and optical properties with Mg concentration. The band gap increases with increasing Mg concentration. More interestingly, a direct to indirect band gap transition is observed for MgZnO monolayer when Mg concentration is higher than 75 at %. We also predict that Mg doping leads to a blue shift of the optical absorption peaks. Our results may provide guidance for designing the growth process and potential application of MgZnO monolayer. Full article
(This article belongs to the Special Issue Computational Multiscale Modeling and Simulation in Materials Science)
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