This study uses a hybrid concept to propose an optimal textured surface morphology for enhancing water condensation. The natural phenomenon-inspired morphology, which combined different degrees of wettability presented on the surface, documented their advantage in water harvesting compared to untreated surfaces. These superiorities might be explained by the appropriate combination of nucleation and water-driven ability facilitated by the superhydrophobic surrounding area. The uniform condensed droplets are effectively agglomerated to achieve the critical size. The best combination was found on a superhydrophobic-hydrophilic hybrid sample that improved water collection efficiency by up to 50% compared to bare Al. Condensation performance also illustrated an interesting tendency that revealed the great contribution of wettability on hydrophilic dots and the water-driven ability of the high-hydrophobicity area. The results were supported by a theoretical model which predicts the critical volume of a single droplet before it has departed from the surface. The findings reveal a good level of agreement between theory and real-time measurement, demonstrating the potential of combinations of hybrid samples to induce water collection efficiency.
{"title":"Enhancing Water Condensation on Hybrid Surfaces by Optimizing Wettability Contrast","authors":"Do-Thuy Chi, Thanh-Binh Nguyen","doi":"10.3390/surfaces7030033","DOIUrl":"https://doi.org/10.3390/surfaces7030033","url":null,"abstract":"This study uses a hybrid concept to propose an optimal textured surface morphology for enhancing water condensation. The natural phenomenon-inspired morphology, which combined different degrees of wettability presented on the surface, documented their advantage in water harvesting compared to untreated surfaces. These superiorities might be explained by the appropriate combination of nucleation and water-driven ability facilitated by the superhydrophobic surrounding area. The uniform condensed droplets are effectively agglomerated to achieve the critical size. The best combination was found on a superhydrophobic-hydrophilic hybrid sample that improved water collection efficiency by up to 50% compared to bare Al. Condensation performance also illustrated an interesting tendency that revealed the great contribution of wettability on hydrophilic dots and the water-driven ability of the high-hydrophobicity area. The results were supported by a theoretical model which predicts the critical volume of a single droplet before it has departed from the surface. The findings reveal a good level of agreement between theory and real-time measurement, demonstrating the potential of combinations of hybrid samples to induce water collection efficiency.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"51 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141808739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tarig G. Ibrahim, R. Almufarij, B. Abdulkhair, Mohamed E. Abd Elaziz
One of the major problems facing humanity in all parts of the world is water pollution. Since carbon nanoparticles (CPs) are known for their excellent absorbability, this study explored preparing CPs via a facilitated ball-milling protocol. Four CP products were prepared with the friction enhancer being variated, typically 0-CPs, 2.5-CPs, 5-CPs, and 10-CPs. The four sorbents were characterized using TEM, EDX, XRD, BET, and FTIR methods. The 0-CPs, 2.5-CPs, 5-CPs, and 10-CPs possessed a BET surface area of 113, 139, 105, and 98.5 m2 g−1, respectively, and showed a sorption capacity of 55.6, 147.0, 65.8, and 24.6 mg g−1 when tested with chlorohexidine (CH). Therefore, the 2.5-CPs were selected as the best sorbents among the prepared nanomaterials and employed for further sorption investigations. The CH sorption on the 2.5-CPs followed the pseudo-second-order, and the liquid–film diffusion controlled the CH sorption onto the 2.5-CPs. The Langmuir isotherm model was followed, and the Dubinin–Radushkevich energy was 3.0 kJ mole−1, indicating a physisorption process. The thermodynamic outputs suggested that CH sorption by 2.5-CPs was favorable. Furthermore, the 2.5-CPs sorbent was tested for treating water samples contaminated with 20 mg L−1 of ciprofloxacin, dextromethorphan, guaifenesin, metronidazole, ibuprofen, chlorzoxazone, chlorpheniramine malate paracetamol, and hydro-chlorothiazide. The 2.5-CPs showed an average removal efficiency of 94.1% with a removal range of 92.1% to 98.3% and a 2.21 standard deviation value.
{"title":"Eliminating Manifold Pharmaceutical Pollutants with Carbon Nanoparticles Driven via a Short-Duration Ball-Milling Process","authors":"Tarig G. Ibrahim, R. Almufarij, B. Abdulkhair, Mohamed E. Abd Elaziz","doi":"10.3390/surfaces7030032","DOIUrl":"https://doi.org/10.3390/surfaces7030032","url":null,"abstract":"One of the major problems facing humanity in all parts of the world is water pollution. Since carbon nanoparticles (CPs) are known for their excellent absorbability, this study explored preparing CPs via a facilitated ball-milling protocol. Four CP products were prepared with the friction enhancer being variated, typically 0-CPs, 2.5-CPs, 5-CPs, and 10-CPs. The four sorbents were characterized using TEM, EDX, XRD, BET, and FTIR methods. The 0-CPs, 2.5-CPs, 5-CPs, and 10-CPs possessed a BET surface area of 113, 139, 105, and 98.5 m2 g−1, respectively, and showed a sorption capacity of 55.6, 147.0, 65.8, and 24.6 mg g−1 when tested with chlorohexidine (CH). Therefore, the 2.5-CPs were selected as the best sorbents among the prepared nanomaterials and employed for further sorption investigations. The CH sorption on the 2.5-CPs followed the pseudo-second-order, and the liquid–film diffusion controlled the CH sorption onto the 2.5-CPs. The Langmuir isotherm model was followed, and the Dubinin–Radushkevich energy was 3.0 kJ mole−1, indicating a physisorption process. The thermodynamic outputs suggested that CH sorption by 2.5-CPs was favorable. Furthermore, the 2.5-CPs sorbent was tested for treating water samples contaminated with 20 mg L−1 of ciprofloxacin, dextromethorphan, guaifenesin, metronidazole, ibuprofen, chlorzoxazone, chlorpheniramine malate paracetamol, and hydro-chlorothiazide. The 2.5-CPs showed an average removal efficiency of 94.1% with a removal range of 92.1% to 98.3% and a 2.21 standard deviation value.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":" 28","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141823970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Monodisperse Pt nanoparticles supported on carbon (Pt/C) were prepared via an impregnation method. By changing the concentration of the platinum precursor in the initial reagent mixture, the average particle size (d) could be controlled to within a narrow range of less than 2 nm. The specific activity (SA) of these materials, when applied to the oxygen reduction reaction (ORR), increased rapidly with d in the range below 1.8 nm, with a maximum SA at d = 1.3 nm. This value is approximately four times that of a commercial Pt/CB catalyst. The electrochemical active area, ECAA (electrochemical surface area (ECSA)/specific surface area (SSA) × 100), decreased drastically from 100% with decreases in d below 1.3 nm. In this study, we present a correlation between SA and ECAA as a means of determining the appropriate d for polymer electrolyte fuel cells (PEFCs) and propose an optimal size.
通过浸渍法制备出了支撑在碳上的单分散铂纳米粒子（Pt/C）。通过改变初始试剂混合物中铂前驱体的浓度，可将平均粒径（d）控制在小于 2 纳米的狭窄范围内。当这些材料用于氧还原反应（ORR）时，其比活度（SA）在 1.8 nm 以下的范围内随着 d 的增大而迅速提高，在 d = 1.3 nm 时达到最大值。该值约为商用铂/碳化硼催化剂的四倍。电化学活性面积 ECAA（电化学表面积 (ECSA)/ 比表面积 (SSA) ×100）随着 d 值在 1.3 nm 以下的减小而从 100%急剧下降。在本研究中，我们提出了 SA 与 ECAA 之间的相关性，以此来确定聚合物电解质燃料电池 (PEFC) 的合适 d 值，并提出了最佳尺寸。
{"title":"Size-Dependence of the Electrochemical Activity of Platinum Particles in the 1 to 2 Nanometer Range","authors":"Hiroshi Yano, Kouta Iwasaki","doi":"10.3390/surfaces7030030","DOIUrl":"https://doi.org/10.3390/surfaces7030030","url":null,"abstract":"Monodisperse Pt nanoparticles supported on carbon (Pt/C) were prepared via an impregnation method. By changing the concentration of the platinum precursor in the initial reagent mixture, the average particle size (d) could be controlled to within a narrow range of less than 2 nm. The specific activity (SA) of these materials, when applied to the oxygen reduction reaction (ORR), increased rapidly with d in the range below 1.8 nm, with a maximum SA at d = 1.3 nm. This value is approximately four times that of a commercial Pt/CB catalyst. The electrochemical active area, ECAA (electrochemical surface area (ECSA)/specific surface area (SSA) × 100), decreased drastically from 100% with decreases in d below 1.3 nm. In this study, we present a correlation between SA and ECAA as a means of determining the appropriate d for polymer electrolyte fuel cells (PEFCs) and propose an optimal size.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"6 16","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141685887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Anti-fogging coatings/surfaces have attracted much attention lately because of their practical applications in a wide variety of engineering fields. In this study, we successfully developed transparent anti-fogging surfaces using a non-volatile and hygroscopic ionic liquid (IL), bis(hydroxyethyl)dimethylammonium methanesulfonate ([BHEDMA][MeSO3]), with a high surface tension (HST, 66.4 mN/m). To prepare these surfaces, a layer of highly transparent, superhydrophilic silica (SiO2) nano-frameworks (SNFs) was first prepared on a glass slide using candle soot particles and the subsequent chemisorption of tetraethoxysilane (TEOS). This particulate layer of SNFs was then used as the support for the preparation of the [BHEDMA][MeSO3] layer. The resulting IL-infused SNF-covered glass slide was highly transparent, superhydrophilic, hygroscopic, and had self-healing and reasonable reversible/repeatable anti-fogging/frosting properties. This IL-infused sample surface kept its excellent anti-fogging performance in air for more than 8 weeks due to the IL’s non-volatile, HST, and hygroscopic nature. In addition, even if the water absorption limit of [BHEDMA][MeSO3] was reached, the anti-fogging properties could be fully restored reversibly/repeatably by simply leaving the samples in air for several tens of minutes or heating them at 100 °C for a few minutes to remove the absorbed water. Our IL-based anti-fogging surfaces showed substantial improvement in their abilities to prevent fogging when compared to other dry/wet (super)hydrophobic/(super)hydrophilic surfaces having different surface geometries and chemistries.
防雾涂层/表面因其在各种工程领域的实际应用而备受关注。在这项研究中，我们利用一种非挥发性、吸湿性离子液体（IL）--具有高表面张力（HST，66.4 mN/m）的双（羟乙基）二甲基铵甲烷磺酸盐（[BHEDMA][MeSO3]），成功研制出了透明防雾表面。为了制备这些表面，首先在玻璃载玻片上使用蜡烛烟尘颗粒制备了一层高透明度、超亲水性二氧化硅（SiO2）纳米框架（SNFs），随后使用四乙氧基硅烷（TEOS）进行化学吸附。然后，将 SNFs 颗粒层用作制备 [BHEDMA][MeSO3]层的支撑物。由此制备出的注入 IL 的 SNF 玻璃载玻片具有高透明度、超亲水性和吸湿性，并具有自修复和合理的可逆/可重复防雾/防霜冻特性。由于 IL 具有非挥发性、HST 和吸湿性，这种注入了 IL 的样品表面在空气中保持了 8 周以上的优异防雾性能。此外，即使达到了[BHEDMA][MeSO3]的吸水极限，只需将样品在空气中放置几十分钟或在 100 °C 下加热几分钟以除去吸收的水分，就能可逆地/重复地完全恢复防雾性能。与其他具有不同表面几何形状和化学性质的干/湿（超）疏水/（超）亲水表面相比，我们的基于 IL 的防雾表面在防雾能力方面有了显著提高。
{"title":"Application of High-Surface Tension and Hygroscopic Ionic Liquid-Infused Nanostructured SiO2 Surfaces for Reversible/Repeatable Anti-Fogging Treatment","authors":"Satoshi Nakamura, Jerred Wassgren, Sayaka Sugie, Atsushi Hozumi","doi":"10.3390/surfaces7030031","DOIUrl":"https://doi.org/10.3390/surfaces7030031","url":null,"abstract":"Anti-fogging coatings/surfaces have attracted much attention lately because of their practical applications in a wide variety of engineering fields. In this study, we successfully developed transparent anti-fogging surfaces using a non-volatile and hygroscopic ionic liquid (IL), bis(hydroxyethyl)dimethylammonium methanesulfonate ([BHEDMA][MeSO3]), with a high surface tension (HST, 66.4 mN/m). To prepare these surfaces, a layer of highly transparent, superhydrophilic silica (SiO2) nano-frameworks (SNFs) was first prepared on a glass slide using candle soot particles and the subsequent chemisorption of tetraethoxysilane (TEOS). This particulate layer of SNFs was then used as the support for the preparation of the [BHEDMA][MeSO3] layer. The resulting IL-infused SNF-covered glass slide was highly transparent, superhydrophilic, hygroscopic, and had self-healing and reasonable reversible/repeatable anti-fogging/frosting properties. This IL-infused sample surface kept its excellent anti-fogging performance in air for more than 8 weeks due to the IL’s non-volatile, HST, and hygroscopic nature. In addition, even if the water absorption limit of [BHEDMA][MeSO3] was reached, the anti-fogging properties could be fully restored reversibly/repeatably by simply leaving the samples in air for several tens of minutes or heating them at 100 °C for a few minutes to remove the absorbed water. Our IL-based anti-fogging surfaces showed substantial improvement in their abilities to prevent fogging when compared to other dry/wet (super)hydrophobic/(super)hydrophilic surfaces having different surface geometries and chemistries.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"20 10","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141685800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The recyclable paper based on photochromic materials not only reduces the pollution in the paper manufacture process, but also reduces the pollution caused by the use of ink, which receives wide attention. In this paper, a series of phosphomolybdic acid–phosphotungstic acid/ZnO/polyvinylpyrrolidone (PMoA-PWA/ZnO/PVP) hybrid films, which had different ratio of PMoA/PWA, was prepared by the ultrasonic composite method. The results indicated that the hybrid film prepared when the ratio of PMoA to PWA was 3 had the best photochromic performance. In this system, ZnO was the photosensitizer, while PMoA/PWA was the chromophore. The photochromic mechanism of the PMoA-PWA/ZnO/PVP hybrid film was based on the photogenerated electron transfer mechanism. ZnO generated photoelectron under the excitation of visible light, then PMoA and PWA obtained the photoelectron and produced photoreduction reaction to generate heteropolyblue. The visible light photochromic paper was prepared by loaded PMoA-PWA/ZnO/PVP hybrid film (A3) on A4 paper. Application tests showed that the prepared paper had extremely stable, excellent and reversible visible light photochromic properties, whether it was printing patterns or words, and could replace ordinary paper to realize the reuse of paper.
{"title":"Preparation and Printing Performance of Visible Light Photochromic Paper Based on PMoA-PWA/ZnO/PVP Composite","authors":"Wanqing Zhao, Hongmei Zhao, Wei Feng, Honggang Zhao","doi":"10.3390/surfaces7030029","DOIUrl":"https://doi.org/10.3390/surfaces7030029","url":null,"abstract":"The recyclable paper based on photochromic materials not only reduces the pollution in the paper manufacture process, but also reduces the pollution caused by the use of ink, which receives wide attention. In this paper, a series of phosphomolybdic acid–phosphotungstic acid/ZnO/polyvinylpyrrolidone (PMoA-PWA/ZnO/PVP) hybrid films, which had different ratio of PMoA/PWA, was prepared by the ultrasonic composite method. The results indicated that the hybrid film prepared when the ratio of PMoA to PWA was 3 had the best photochromic performance. In this system, ZnO was the photosensitizer, while PMoA/PWA was the chromophore. The photochromic mechanism of the PMoA-PWA/ZnO/PVP hybrid film was based on the photogenerated electron transfer mechanism. ZnO generated photoelectron under the excitation of visible light, then PMoA and PWA obtained the photoelectron and produced photoreduction reaction to generate heteropolyblue. The visible light photochromic paper was prepared by loaded PMoA-PWA/ZnO/PVP hybrid film (A3) on A4 paper. Application tests showed that the prepared paper had extremely stable, excellent and reversible visible light photochromic properties, whether it was printing patterns or words, and could replace ordinary paper to realize the reuse of paper.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"131 17","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141714230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Interface termination bonding between metal oxide and metals is discussed from the viewpoint of thermodynamics. The method of interface termination prediction proposed by the authors for Al2O3–metal and ZnO–metal interfaces is extended to a general interface between metal-oxide and metals. The extension of the prediction method to the interface between metal oxides and elemental semiconductors is also discussed. Information on interface bonding was extracted by carefully examining the experimental results and first-principles calculations in the references. The extracted information on interface bonding from references is compared with the results obtained via the proposed prediction method. It is demonstrated that interface termination bonding can be predicted by extending the method to oxide–metal interfaces in general, when there is no interface reaction such as the reduction of oxide, oxidation of metal, or mixed oxide formation. The method uses only basic quantities of pure elements and the formation enthalpy of oxides. Therefore, it can be applied to most of the metals (including elemental semiconductors) in the periodic table and metal oxides with one stable valence. The method is implemented as a software, “InterChemBond”, and can be used free of charge.
{"title":"General Method for Predicting Interface Bonding at Various Oxide–Metal Interfaces","authors":"Michiko Yoshitake","doi":"10.3390/surfaces7020026","DOIUrl":"https://doi.org/10.3390/surfaces7020026","url":null,"abstract":"Interface termination bonding between metal oxide and metals is discussed from the viewpoint of thermodynamics. The method of interface termination prediction proposed by the authors for Al2O3–metal and ZnO–metal interfaces is extended to a general interface between metal-oxide and metals. The extension of the prediction method to the interface between metal oxides and elemental semiconductors is also discussed. Information on interface bonding was extracted by carefully examining the experimental results and first-principles calculations in the references. The extracted information on interface bonding from references is compared with the results obtained via the proposed prediction method. It is demonstrated that interface termination bonding can be predicted by extending the method to oxide–metal interfaces in general, when there is no interface reaction such as the reduction of oxide, oxidation of metal, or mixed oxide formation. The method uses only basic quantities of pure elements and the formation enthalpy of oxides. Therefore, it can be applied to most of the metals (including elemental semiconductors) in the periodic table and metal oxides with one stable valence. The method is implemented as a software, “InterChemBond”, and can be used free of charge.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"52 52","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141269815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The corrosion of metals is very important, both economically and environmentally, and is a serious concern. Since the past decades, traditional (chemical) corrosion inhibitors to prevent corrosion have been and are still being used. Although these inhibitors can be said to be a good choice among other protection techniques because of their good efficiency, the toxicity of many of them causes environmental problems, and, due to the change in the laws on the use of chemicals, many of them are no longer allowed. Hence, during the past years, research on green corrosion inhibitors (GCIs) increased and very favorable results were obtained, and now they are very popular. It can be said that biodegradability and easy preparation are their most important factors. Meanwhile, the use of plants, especially their extracts, has been studied a lot. Plant extracts contain compounds that have anti-corrosion properties. In this review, the use of plants as GCIs is investigated, focusing on recent advances in their use. Also, the phenomenon of corrosion, corrosion protection (including coatings, nanoparticles, and chemical inhibitors), and other GCIs are briefly reviewed.
{"title":"The Use of Plant Extracts as Green Corrosion Inhibitors: A Review","authors":"M. Sheydaei","doi":"10.3390/surfaces7020024","DOIUrl":"https://doi.org/10.3390/surfaces7020024","url":null,"abstract":"The corrosion of metals is very important, both economically and environmentally, and is a serious concern. Since the past decades, traditional (chemical) corrosion inhibitors to prevent corrosion have been and are still being used. Although these inhibitors can be said to be a good choice among other protection techniques because of their good efficiency, the toxicity of many of them causes environmental problems, and, due to the change in the laws on the use of chemicals, many of them are no longer allowed. Hence, during the past years, research on green corrosion inhibitors (GCIs) increased and very favorable results were obtained, and now they are very popular. It can be said that biodegradability and easy preparation are their most important factors. Meanwhile, the use of plants, especially their extracts, has been studied a lot. Plant extracts contain compounds that have anti-corrosion properties. In this review, the use of plants as GCIs is investigated, focusing on recent advances in their use. Also, the phenomenon of corrosion, corrosion protection (including coatings, nanoparticles, and chemical inhibitors), and other GCIs are briefly reviewed.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"140 24","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141281501","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We studied the noncovalent interactions of gadolinium bisphthalocyanine (GdPc2) with cluster models for graphene and hexagonal boron nitride (hBN) of variable size by using the PBE functional of the generalized gradient approximation in conjunction with Grimme’s dispersion correction and a DND double numerical basis set (that is, PBE-D2/DND). We found that in terms of the bonding strength, changes in the Gd-N bond lengths, the charge and spin of the Gd central ion, and the spin of the GdPc2 molecule, the behaviors of the graphene- and hBN-based model systems are rather similar. As expected, when increasing the size of the graphene and hBN cluster models, the strength of the interaction with GdPc2 increases, in which the bonding with the hBN models is usually stronger by a few kcal/mol. One of the main questions addressed in the present work was whether a change in the antiferromagnetic spin alignment to a ferromagnetic one, which is typical for GdPc2, is (at least theoretically) possible, as it has been observed previously for a number of graphene models when a smaller basis set DN was employed. We found that the use of a larger DND basis set dramatically reduces the occurrence of ferromagnetic adsorption complexes but does not exclude this possibility completely.
{"title":"Adsorption of Gadolinium Bisphthalocyanine on Atomically Flat Surfaces: Comparison of Graphene and Hexagonal Boron Nitride from DFT Calculations","authors":"V. Basiuk, E. Basiuk","doi":"10.3390/surfaces7020025","DOIUrl":"https://doi.org/10.3390/surfaces7020025","url":null,"abstract":"We studied the noncovalent interactions of gadolinium bisphthalocyanine (GdPc2) with cluster models for graphene and hexagonal boron nitride (hBN) of variable size by using the PBE functional of the generalized gradient approximation in conjunction with Grimme’s dispersion correction and a DND double numerical basis set (that is, PBE-D2/DND). We found that in terms of the bonding strength, changes in the Gd-N bond lengths, the charge and spin of the Gd central ion, and the spin of the GdPc2 molecule, the behaviors of the graphene- and hBN-based model systems are rather similar. As expected, when increasing the size of the graphene and hBN cluster models, the strength of the interaction with GdPc2 increases, in which the bonding with the hBN models is usually stronger by a few kcal/mol. One of the main questions addressed in the present work was whether a change in the antiferromagnetic spin alignment to a ferromagnetic one, which is typical for GdPc2, is (at least theoretically) possible, as it has been observed previously for a number of graphene models when a smaller basis set DN was employed. We found that the use of a larger DND basis set dramatically reduces the occurrence of ferromagnetic adsorption complexes but does not exclude this possibility completely.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"58 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141275795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
V. Lapitskaya, R. Trukhan, T. Kuznetsova, J. Solovjov, S. Chizhik, Vladimir Pilipenko, Karyna Liutsko, Anastasiya Nasevich, Maksim Douhal
Nickel films of 40 nm thickness were obtained by means of magnetron sputtering on a single-crystalline silicon substrate. The films were subjected to rapid thermal treatment (RTT) for 7 s until the temperature increased from 200 to 550 °C. By means of the X-ray diffraction method, the structural-phase composition of nickel films before and after RTT was explored. The atomic force microscopy method due to direct contact with the surface under study, made it possible to accurately define the microstructure, roughness, specific surface energy and grain size of the nickel films before and after RTT, as well as to establish the relationship of these parameters with the phase composition and electrical properties of the films. Surface specific resistance was measured using the four-probe method. Based on XRD results, formation of Ni2Si and NiSi phases in the film was ascertained after RTT at 300 °C. At RTT 350–550 °C, only the NiSi phase was formed in the film. The microstructure and grain size significantly depend on the phase composition of the films. A correlation has been established between specific surface energy and resistivity with the average grain size after RTT at 350–550 °C, which is associated with the formation and constant restructuring of the crystal structure of the NiSi phase.
{"title":"Microstructure and Properties of Thin-Film Submicrostructures Obtained by Rapid Thermal Treatment of Nickel Films on Silicon","authors":"V. Lapitskaya, R. Trukhan, T. Kuznetsova, J. Solovjov, S. Chizhik, Vladimir Pilipenko, Karyna Liutsko, Anastasiya Nasevich, Maksim Douhal","doi":"10.3390/surfaces7020013","DOIUrl":"https://doi.org/10.3390/surfaces7020013","url":null,"abstract":"Nickel films of 40 nm thickness were obtained by means of magnetron sputtering on a single-crystalline silicon substrate. The films were subjected to rapid thermal treatment (RTT) for 7 s until the temperature increased from 200 to 550 °C. By means of the X-ray diffraction method, the structural-phase composition of nickel films before and after RTT was explored. The atomic force microscopy method due to direct contact with the surface under study, made it possible to accurately define the microstructure, roughness, specific surface energy and grain size of the nickel films before and after RTT, as well as to establish the relationship of these parameters with the phase composition and electrical properties of the films. Surface specific resistance was measured using the four-probe method. Based on XRD results, formation of Ni2Si and NiSi phases in the film was ascertained after RTT at 300 °C. At RTT 350–550 °C, only the NiSi phase was formed in the film. The microstructure and grain size significantly depend on the phase composition of the films. A correlation has been established between specific surface energy and resistivity with the average grain size after RTT at 350–550 °C, which is associated with the formation and constant restructuring of the crystal structure of the NiSi phase.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"18 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140374239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Bendi Anjaneyulu, Ravi Rana, Versha, M. Afshari, S. Carabineiro
One of the most significant challenges the world is currently facing is wastewater treatment. A substantial volume of effluents from diverse sources releases numerous pollutants into the water. Among these contaminants, organic pollutants are particularly concerning due to the associated risk of being released into the environment, garnering significant attention. Rapid advancements in agriculture and industry on a global scale generate vast volumes of hazardous organic compounds, which eventually find their way into natural systems. Recently, the release of industrial wastewater has been increasing, due to the progress of numerous businesses. This poses a danger to humans and the environment, leading to environmental contamination. The application of carbon nanocomposites in applied nanotechnology has recently expanded due to their large surface area, substantial pore volume, low preparation cost, and environmental resilience. Expanding the use of nanomaterials in water treatment is essential, as magnetic carbon nanocomposites consistently demonstrate an efficient elimination of pollutants from water solutions. In the current study, we have highlighted the application of magnetic porous carbon nanocomposites in removing organic pollutants from wastewater.
{"title":"The Use of Magnetic Porous Carbon Nanocomposites for the Elimination of Organic Pollutants from Wastewater","authors":"Bendi Anjaneyulu, Ravi Rana, Versha, M. Afshari, S. Carabineiro","doi":"10.3390/surfaces7010009","DOIUrl":"https://doi.org/10.3390/surfaces7010009","url":null,"abstract":"One of the most significant challenges the world is currently facing is wastewater treatment. A substantial volume of effluents from diverse sources releases numerous pollutants into the water. Among these contaminants, organic pollutants are particularly concerning due to the associated risk of being released into the environment, garnering significant attention. Rapid advancements in agriculture and industry on a global scale generate vast volumes of hazardous organic compounds, which eventually find their way into natural systems. Recently, the release of industrial wastewater has been increasing, due to the progress of numerous businesses. This poses a danger to humans and the environment, leading to environmental contamination. The application of carbon nanocomposites in applied nanotechnology has recently expanded due to their large surface area, substantial pore volume, low preparation cost, and environmental resilience. Expanding the use of nanomaterials in water treatment is essential, as magnetic carbon nanocomposites consistently demonstrate an efficient elimination of pollutants from water solutions. In the current study, we have highlighted the application of magnetic porous carbon nanocomposites in removing organic pollutants from wastewater.","PeriodicalId":508474,"journal":{"name":"Surfaces","volume":"14 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140442038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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