Pub Date : 2024-09-22DOI: 10.1016/j.surfin.2024.105154
Layered manganese dioxide (δ-MnO2) has garnered significant attention due to its exceptional potential as a cathode material in aqueous zinc-ion batteries. Nevertheless, the widespread adoption of δ-MnO2 in commercial applications remains hindered by challenges such as insufficient electrical conductivity and instability in its structural integrity throughout charge and discharge cycles. In this study, using KOH solution as the etchant, CNT@K+-doped δ-MnO2 (CNT@KMO) was successfully fabricated, where the CNTs enhance the transport of electron by establishing a conductive network, while the K+ from KOH serves as pillars to intercalate into the MnO2 interlayer, giving rise to a more stable structure. Consequently, the CNT@KMO electrode demonstrates an ideal reversible specific capacity of 306.1 mA h g-1 after 150 cycles at a current density of 0.5 A g-1 in a 2 M ZnSO4+0.2 M MnSO4 aqueous electrolyte. Furthermore, the electrode exhibits a respectable specific capacity of 100.8 mA h g-1 with a coulombic efficiency close to 100% at a current density of 5 A g-1 and exceptional cycling stability more than 2000 cycles. This novel synthesis strategy could pave the way for superior aqueous zinc ion batteries.
层状二氧化锰（δ-MnO2）因其作为锌离子水电池阴极材料的巨大潜力而备受关注。然而，δ-MnO2 在商业应用中的广泛采用仍受到一些挑战的阻碍，如导电性不足以及在充放电循环中结构完整性不稳定。在本研究中，使用 KOH 溶液作为蚀刻剂，成功制备了 CNT@K+ 掺杂的 δ-MnO2（CNT@KMO），其中 CNT 通过建立导电网络增强了电子传输，而 KOH 中的 K+ 则作为支柱插层到 MnO2 夹层中，从而产生了更稳定的结构。因此，CNT@KMO 电极在 2 M ZnSO4+0.2 MnSO4 水电解液中以 0.5 A g-1 的电流密度循环 150 次后，显示出 306.1 mA h g-1 的理想可逆比容量。此外，在电流密度为 5 A g-1 时，该电极的比容量为 100.8 mA h g-1，库仑效率接近 100%，循环稳定性超过 2000 次。这种新颖的合成策略可为制造优质的锌离子水电池铺平道路。
{"title":"Construction of CNT@K+- doped δ-MnO2 by “killing two birds with one stone” strategy toward high-rate and stable aqueous zinc-ion batteries","authors":"","doi":"10.1016/j.surfin.2024.105154","DOIUrl":"10.1016/j.surfin.2024.105154","url":null,"abstract":"<div><div>Layered manganese dioxide (δ-MnO<sub>2</sub>) has garnered significant attention due to its exceptional potential as a cathode material in aqueous zinc-ion batteries. Nevertheless, the widespread adoption of δ-MnO<sub>2</sub> in commercial applications remains hindered by challenges such as insufficient electrical conductivity and instability in its structural integrity throughout charge and discharge cycles. In this study, using KOH solution as the etchant, CNT@K<sup>+</sup>-doped δ-MnO<sub>2</sub> (CNT@KMO) was successfully fabricated, where the CNTs enhance the transport of electron by establishing a conductive network, while the K<sup>+</sup> from KOH serves as pillars to intercalate into the MnO<sub>2</sub> interlayer, giving rise to a more stable structure. Consequently, the CNT@KMO electrode demonstrates an ideal reversible specific capacity of 306.1 mA h g<sup>-1</sup> after 150 cycles at a current density of 0.5 A g<sup>-1</sup> in a 2 M ZnSO<sub>4</sub>+0.2 M MnSO<sub>4</sub> aqueous electrolyte. Furthermore, the electrode exhibits a respectable specific capacity of 100.8 mA h g<sup>-1</sup> with a coulombic efficiency close to 100% at a current density of 5 A g<sup>-1</sup> and exceptional cycling stability more than 2000 cycles. This novel synthesis strategy could pave the way for superior aqueous zinc ion batteries.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142326974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-21DOI: 10.1016/j.surfin.2024.105151
Monitoring and identifying air pollutants, such as NO and NO2, is crucial due to their detrimental impact on both the environment and human health. This work employs density functional theory (DFT) with the PBE + U functional to investigate the adsorption and sensing performance of NO and NO2 on transition metal (TM)-doped GaN@MoSSe heterostructures. The adsorption energy, charge transfer, electron localization functions, charge density difference, spin density, band gaps and density of states are analyzed. The findings reveal that a transition from physisorption to chemisorption occurs after TM atoms doping. Also, when the surface is embedded with Cu, Fe and Mn atoms, there is a significant improvement in the behavior related to gas adsorption. The bandgap and its variations lead to the change in surface electrical conductivity, thereby affecting the gas sensitivity of the adsorption system. Particularly, the CuGa-GaN@MoSSe and FeGa-GaN@MoSSe systems exhibit improved gas sensitivity toward NO due to their significant band gap reduction. Meanwhile, the CuSe−MoSSe@GaN, CuGa-GaN@MoSSe, FeGa-GaN@MoSSe and MnGa-GaN@MoSSe systems also demonstrate enhanced sensing capabilities for NO2. This work offers valuable theoretical insights for exploring the potential applications of TM-GaN@MoSSe heterostructures in gas sensing.
{"title":"Detection of harmful gases (NO, NO2) by GaN@MoSSe heterostructures embedded with transition metal (Cu, Fe and Mn) atoms: A DFT study","authors":"","doi":"10.1016/j.surfin.2024.105151","DOIUrl":"10.1016/j.surfin.2024.105151","url":null,"abstract":"<div><div>Monitoring and identifying air pollutants, such as NO and NO<sub>2</sub>, is crucial due to their detrimental impact on both the environment and human health. This work employs density functional theory (DFT) with the PBE + <em>U</em> functional to investigate the adsorption and sensing performance of NO and NO<sub>2</sub> on transition metal (TM)-doped GaN@MoSSe heterostructures. The adsorption energy, charge transfer, electron localization functions, charge density difference, spin density, band gaps and density of states are analyzed. The findings reveal that a transition from physisorption to chemisorption occurs after TM atoms doping. Also, when the surface is embedded with Cu, Fe and Mn atoms, there is a significant improvement in the behavior related to gas adsorption. The bandgap and its variations lead to the change in surface electrical conductivity, thereby affecting the gas sensitivity of the adsorption system. Particularly, the Cu<sub>Ga</sub>-GaN@MoSSe and Fe<sub>Ga</sub>-GaN@MoSSe systems exhibit improved gas sensitivity toward NO due to their significant band gap reduction. Meanwhile, the Cu<sub>Se−</sub>MoSSe@GaN, Cu<sub>Ga</sub>-GaN@MoSSe, Fe<sub>Ga</sub>-GaN@MoSSe and Mn<sub>Ga</sub>-GaN@MoSSe systems also demonstrate enhanced sensing capabilities for NO<sub>2</sub>. This work offers valuable theoretical insights for exploring the potential applications of TM-GaN@MoSSe heterostructures in gas sensing.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142314977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-21DOI: 10.1016/j.surfin.2024.105153
Background
Additive manufacturing is increasingly being utilized for dental restorations, but debonding remains a common issue with zirconia restorations. In particular, there is limited research on the bonding properties between additively manufactured (AM) zirconia and resin cement.
Aim
This study aimed to evaluate and compare the shear bond strength (SBS) of resin to milled and AM zirconia, and to investigate the effect of different surface treatments.
Material and methods
Milled and AM zirconia specimens were subjected to various surface treatment methods: wet-polished group (MW&AW), where milled or AM zirconia was wet-polished with no additional treatment; primer group (MP&AP), where wet-polished zirconia was treated with primer; glass spray group (MG&AG), where wet-polished zirconia was coated with glass; and the bare group (AB), consisting of unpolished AM zirconia with preserved surface texture. Shear bond strength, surface roughness, morphology, and elemental distribution were analyzed using a universal mechanical testing machine, laser scanning microscope, scanning electron microscope, and micro X-ray fluorescence spectrometer, respectively.
Results
The untreated groups showed the lowest SBS values (MW=6.82±2.35 MPa, AW=10.86±3.79 MPa), while the highest SBS values were observed in the glass coating groups (MG=23.06±3.86 MPa, AG=25.96±5.60 MPa). There was no significant difference in SBS between milled and AM zirconia with the same surface treatment. Additionally, the bare AM zirconia group exhibited slightly higher SBS than that of the wet-polished AM zirconia group.
Conclusions
Surface treatments significantly enhance the shear bond strength between AM zirconia and resin, achieving bond strength levels comparable to those of milled zirconia. In addition, the unique surface textures of AM zirconia, enabled by its design and manufacturing flexibility, hold potential to further enhance bond properties.
背景快速成型技术越来越多地用于牙科修复，但脱粘仍然是氧化锆修复体的常见问题。本研究旨在评估和比较树脂与研磨氧化锆和 AM 氧化锆的剪切粘结强度（SBS），并探讨不同表面处理方法的影响。材料和方法对研磨和调聚氧化锆试样采用不同的表面处理方法：湿抛光组（MW&AW），对研磨或调聚氧化锆进行湿抛光，不做额外处理；底漆组（MP&AP），对湿抛光氧化锆进行底漆处理；玻璃喷涂组（MG&AG），对湿抛光氧化锆进行玻璃喷涂；裸组（AB），包括未抛光的调聚氧化锆，保留表面纹理。结果 未处理组的 SBS 值最低（MW=6.82±2.35 MPa，AW=10.86±3.79 MPa），而玻璃涂层组的 SBS 值最高（MG=23.06±3.86 MPa，AG=25.96±5.60 MPa）。表面处理相同的研磨氧化锆和 AM 氧化锆的 SBS 没有明显差异。结论表面处理可显著提高 AM 氧化锆和树脂之间的剪切粘结强度，达到与研磨氧化锆相当的粘结强度水平。此外，AM 氧化锆独特的表面纹理因其设计和制造的灵活性而具有进一步提高粘接性能的潜力。
{"title":"Shear bond strength of resin to additively manufactured zirconia with different surface treatments","authors":"","doi":"10.1016/j.surfin.2024.105153","DOIUrl":"10.1016/j.surfin.2024.105153","url":null,"abstract":"<div><h3>Background</h3><div>Additive manufacturing is increasingly being utilized for dental restorations, but debonding remains a common issue with zirconia restorations. In particular, there is limited research on the bonding properties between additively manufactured (AM) zirconia and resin cement.</div></div><div><h3>Aim</h3><div>This study aimed to evaluate and compare the shear bond strength (SBS) of resin to milled and AM zirconia, and to investigate the effect of different surface treatments.</div></div><div><h3>Material and methods</h3><div>Milled and AM zirconia specimens were subjected to various surface treatment methods: wet-polished group (M<sub>W</sub>&A<sub>W</sub>), where milled or AM zirconia was wet-polished with no additional treatment; primer group (M<sub>P</sub>&A<sub>P</sub>), where wet-polished zirconia was treated with primer; glass spray group (M<sub>G</sub>&A<sub>G</sub>), where wet-polished zirconia was coated with glass; and the bare group (A<sub>B</sub>), consisting of unpolished AM zirconia with preserved surface texture. Shear bond strength, surface roughness, morphology, and elemental distribution were analyzed using a universal mechanical testing machine, laser scanning microscope, scanning electron microscope, and micro X-ray fluorescence spectrometer, respectively.</div></div><div><h3>Results</h3><div>The untreated groups showed the lowest SBS values (M<sub>W</sub>=6.82±2.35 MPa, A<sub>W</sub>=10.86±3.79 MPa), while the highest SBS values were observed in the glass coating groups (M<sub>G</sub>=23.06±3.86 MPa, A<sub>G</sub>=25.96±5.60 MPa). There was no significant difference in SBS between milled and AM zirconia with the same surface treatment. Additionally, the bare AM zirconia group exhibited slightly higher SBS than that of the wet-polished AM zirconia group.</div></div><div><h3>Conclusions</h3><div>Surface treatments significantly enhance the shear bond strength between AM zirconia and resin, achieving bond strength levels comparable to those of milled zirconia. In addition, the unique surface textures of AM zirconia, enabled by its design and manufacturing flexibility, hold potential to further enhance bond properties.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142326978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-21DOI: 10.1016/j.surfin.2024.105157
Transparent device in perovskite Co-LaNiO3 QDs modified NiO/BaTiO3 is prepared via an approach of sol-gel-annealing-chemical deposition method. The obtained NiO/Co-LaNiO3 QDs/BaTiO3 (NiO/BTO-LaCoNi-2) exhibits high transmittance of ∼80–85 %, obvious photovoltaic enhancement of ∼2.01 × 103-folds (PCE of ∼1.12 %) than NiO/BTO, stable output in ∼28000s. It can be mainly attributed to the perovskite Co-LaNiO3 QDs modification. Besides appropriate Fermi level and high quantum yield (DFT supporting), the Co-LaNiO3 QDs with extra carrier injecting/driving from synergism of charge compensation, bimetallic synergism and lattice distortion can improve the carrier kinetic equilibrium for PCE-transparency balance, meanwhile increasing the p-type conductivity via Cu vacancy/Ni vacancy/interstitial oxygen synergism. Moreover, the surface orderly nanosheets arrays can increase solar efficiency, while inorganic NiO, Co-LaNiO3 QDs, BaTiO3 and orderly interval with structural stability are beneficial for the actual applications.
{"title":"Perovskite Co-doping LaNiO3 quantum dots modified NiO/BaTiO3 transparent pn junction towards photovoltaic enhancement via bimetallic synergism","authors":"","doi":"10.1016/j.surfin.2024.105157","DOIUrl":"10.1016/j.surfin.2024.105157","url":null,"abstract":"<div><div>Transparent device in perovskite Co-LaNiO<sub>3</sub> QDs modified NiO/BaTiO<sub>3</sub> is prepared via an approach of sol-gel-annealing-chemical deposition method. The obtained NiO/Co-LaNiO<sub>3</sub> QDs/BaTiO<sub>3</sub> (NiO/BTO-LaCoNi-2) exhibits high transmittance of ∼80–85 %, obvious photovoltaic enhancement of ∼2.01 × 10<sup>3</sup>-folds (PCE of ∼1.12 %) than NiO/BTO, stable output in ∼28000s. It can be mainly attributed to the perovskite Co-LaNiO<sub>3</sub> QDs modification. Besides appropriate Fermi level and high quantum yield (DFT supporting), the Co-LaNiO<sub>3</sub> QDs with extra carrier injecting/driving from synergism of charge compensation, bimetallic synergism and lattice distortion can improve the carrier kinetic equilibrium for PCE-transparency balance, meanwhile increasing the p-type conductivity via Cu vacancy/Ni vacancy/interstitial oxygen synergism. Moreover, the surface orderly nanosheets arrays can increase solar efficiency, while inorganic NiO, Co-LaNiO<sub>3</sub> QDs, BaTiO<sub>3</sub> and orderly interval with structural stability are beneficial for the actual applications.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142320174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-21DOI: 10.1016/j.surfin.2024.105150
Effective moisture management within the microenvironment of protective clothing is crucial for maintaining garment performance and wearer comfort. The inherent properties of fabrics and the structural of protective garments often hinder the discharge of sweat to the external environment. Here, we present a novel 3D moisture transport fabric, engineered with gradient wetting properties along both the thickness and length dimensions. This fabric can transport moisture from the inner to the outer surface within approximately 5 s, achieving a maximum accumulative one-way transport capability of 1189.1 in the thickness direction. Additionally, by further directing moisture along the constructed wetting gradient on the fabric's outer surface, the moisture diffusion distance in the gradient direction was up to 2.6 times greater than in other directions. This approach will enhance moisture transport and management within protective clothing and can be further extended to the development of materials for oil-water separation, wound dressings, flexible microfluidics, and fuel cell membranes.
{"title":"Three-dimensional moisture transport fabric for enhanced moisture management in protective clothing","authors":"","doi":"10.1016/j.surfin.2024.105150","DOIUrl":"10.1016/j.surfin.2024.105150","url":null,"abstract":"<div><div>Effective moisture management within the microenvironment of protective clothing is crucial for maintaining garment performance and wearer comfort. The inherent properties of fabrics and the structural of protective garments often hinder the discharge of sweat to the external environment. Here, we present a novel 3D moisture transport fabric, engineered with gradient wetting properties along both the thickness and length dimensions. This fabric can transport moisture from the inner to the outer surface within approximately 5 s, achieving a maximum accumulative one-way transport capability of 1189.1 in the thickness direction. Additionally, by further directing moisture along the constructed wetting gradient on the fabric's outer surface, the moisture diffusion distance in the gradient direction was up to 2.6 times greater than in other directions. This approach will enhance moisture transport and management within protective clothing and can be further extended to the development of materials for oil-water separation, wound dressings, flexible microfluidics, and fuel cell membranes.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142326979","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-20DOI: 10.1016/j.surfin.2024.105145
Several factors, particularly the material of the window layer, contribute to the efficiency of CIGS solar cells. To optimize light absorption and reduce energy losses, it is critical to select the appropriate material for the window layer development. Thus, the main emphasis of this review is on the development of window layers, covering fundamental concepts, synthesis techniques, characterization methods, and optimization strategies. Metal oxides and doped metal oxides are critical materials for optimizing charge carrier flow, minimizing energy loss, and elevating sunlight transmission to the CIGS absorber. Despite tremendous progress, difficulties such as increased conductivity, transparency, stability, and cost-effectiveness remain. Discovering novel materials, specific combinations, and improved deposition techniques offers further details on the structure-property relationships of window layers. Addressing these difficulties is critical to improving the performance of CIGS solar cells, which are now approximately 23.6 % efficient. These enhancements are critical for progressing sustainable energy solutions.
{"title":"Chronological progress in enhancing CIGS solar cell performance through window layer development: Fundamentals, synthesis, optimization","authors":"","doi":"10.1016/j.surfin.2024.105145","DOIUrl":"10.1016/j.surfin.2024.105145","url":null,"abstract":"<div><div>Several factors, particularly the material of the window layer, contribute to the efficiency of CIGS solar cells. To optimize light absorption and reduce energy losses, it is critical to select the appropriate material for the window layer development. Thus, the main emphasis of this review is on the development of window layers, covering fundamental concepts, synthesis techniques, characterization methods, and optimization strategies. Metal oxides and doped metal oxides are critical materials for optimizing charge carrier flow, minimizing energy loss, and elevating sunlight transmission to the CIGS absorber. Despite tremendous progress, difficulties such as increased conductivity, transparency, stability, and cost-effectiveness remain. Discovering novel materials, specific combinations, and improved deposition techniques offers further details on the structure-property relationships of window layers. Addressing these difficulties is critical to improving the performance of CIGS solar cells, which are now approximately 23.6 % efficient. These enhancements are critical for progressing sustainable energy solutions.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468023024013014/pdfft?md5=271ab25d65f629c36e1243eb52b1a823&pid=1-s2.0-S2468023024013014-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142311396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-20DOI: 10.1016/j.surfin.2024.105148
This study explores an innovative electrochemical strategy for the removal of the highly stable and toxic EDTA-Ni complex found in electroplating wastewater. Utilizing a cobalt-based single-atom catalyst (Co-NC) in an electro-enhanced system, we achieved significant activation of peroxydisulfate (PDS) for effective degradation of EDTA-Ni. Under optimal conditions of 40 mA current density and a pH range of 3–7, more than 97% of EDTA-Ni (1 mM) was successfully degraded within 90 min. Through detailed electrochemical experiments, we identified that atomic hydrogen (H*) played a crucial role in the indirect activation of PDS, facilitating the formation of reactive sulfate radicals (·SO4-). Computational analysis using density functional theory (DFT) confirmed that the H*-mediated reduction pathway had a notably low energy barrier (ΔGbs = 0.51 eV), making it the dominant activation mechanism. Gas chromatography-mass spectrometry (GC–MS) further revealed the primary degradation intermediates, providing insights into the breakdown process of EDTA-Ni. This research underscores the potential of Co-NC catalyst as a highly effective catalyst for treating persistent heavy metal complexes in advanced oxidation systems.
{"title":"Advanced electrochemical oxidation of EDTA-Ni via cobalt single-atom catalysts: Exploring indirect persulfate activation pathways","authors":"","doi":"10.1016/j.surfin.2024.105148","DOIUrl":"10.1016/j.surfin.2024.105148","url":null,"abstract":"<div><div>This study explores an innovative electrochemical strategy for the removal of the highly stable and toxic EDTA-Ni complex found in electroplating wastewater. Utilizing a cobalt-based single-atom catalyst (Co-NC) in an electro-enhanced system, we achieved significant activation of peroxydisulfate (PDS) for effective degradation of EDTA-Ni. Under optimal conditions of 40 mA current density and a pH range of 3–7, more than 97% of EDTA-Ni (1 mM) was successfully degraded within 90 min. Through detailed electrochemical experiments, we identified that atomic hydrogen (H*) played a crucial role in the indirect activation of PDS, facilitating the formation of reactive sulfate radicals (·SO4-). Computational analysis using density functional theory (DFT) confirmed that the H*-mediated reduction pathway had a notably low energy barrier (ΔGbs = 0.51 eV), making it the dominant activation mechanism. Gas chromatography-mass spectrometry (GC–MS) further revealed the primary degradation intermediates, providing insights into the breakdown process of EDTA-Ni. This research underscores the potential of Co-NC catalyst as a highly effective catalyst for treating persistent heavy metal complexes in advanced oxidation systems.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142326973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-20DOI: 10.1016/j.surfin.2024.105142
As a member of the new two-dimensional materials family, functionalized MoB (MBene) attracts great interest as energy storage materials due to their excellent mechanical properties and metallicity. Here, we aim to leverage the superior properties of MBene to develop new promising electron materials for Li/Na-ion batteries by designing the MoS2 /MoBS heterostructure. Our investigation focuses on the structural stability, mechanical and electrochemical properties by first-principles calculation. The high Young's modulus, robust structural stability and metallicity prevent the electrode pulverization and guarantee cycle stability of battery. Impressively, the interlayer diffusion barriers of Li and Na atoms are only 0.26 and 0.16 eV, outperforming other MoS2-based heterostructures. With calculated open circuit voltage of 0.01–1.83 V for Li atoms and 0.02–1.28 V for Na atoms, the heterostructure is suitable for deployment as an anode material. Besides, the reversible specific capacity (376 mAh/g) of Li atoms is improved by the electron transfer caused by the formation of heterostructure compared to that of monolayer MoS2 (335 mAh/g) and MoBS(193 mAh/g). These findings fully underline the potential of MoS2/MoBS heterostructure as anode material of Li/Na-ion batteries.
{"title":"Significant promotion of interlayer ion diffusion for MoS2 /MoBS heterostructure as high performance Li/Na ion batteries anode material","authors":"","doi":"10.1016/j.surfin.2024.105142","DOIUrl":"10.1016/j.surfin.2024.105142","url":null,"abstract":"<div><div>As a member of the new two-dimensional materials family, functionalized MoB (MBene) attracts great interest as energy storage materials due to their excellent mechanical properties and metallicity. Here, we aim to leverage the superior properties of MBene to develop new promising electron materials for Li/Na-ion batteries by designing the MoS2 /MoBS heterostructure. Our investigation focuses on the structural stability, mechanical and electrochemical properties by first-principles calculation. The high Young's modulus, robust structural stability and metallicity prevent the electrode pulverization and guarantee cycle stability of battery. Impressively, the interlayer diffusion barriers of Li and Na atoms are only 0.26 and 0.16 eV, outperforming other MoS<sub>2</sub>-based heterostructures. With calculated open circuit voltage of 0.01–1.83 V for Li atoms and 0.02–1.28 V for Na atoms, the heterostructure is suitable for deployment as an anode material. Besides, the reversible specific capacity (376 mAh/g) of Li atoms is improved by the electron transfer caused by the formation of heterostructure compared to that of monolayer MoS<sub>2</sub> (335 mAh/g) and MoBS(193 mAh/g). These findings fully underline the potential of MoS<sub>2</sub>/MoBS heterostructure as anode material of Li/Na-ion batteries.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142326980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-20DOI: 10.1016/j.surfin.2024.105137
In the research of this paper, we have devised a mid-infrared band metamaterial perfect absorber made of graphene material. The absorber is composed of a traditional three-layer structure of MPA. The top layer is a graphene layer with a specific structure, with SiO2 as the dielectric layer and the gold film as the substrate. In the wavelength range of 5500 – 13,000 nm, the graphene layer generates seven absorption peaks and shows ultra-high absorption efficiency. The respective absorption rates are 91.17 %, 99.41 %, 99.01 %, 95.69 %, 94.16 %, 96.89 %, and 95.01 %. By verifying the absorption spectra and the principle of effective impedance matching, analyze the electric field distribution image of the xoy plane based on the principle of surface plasmon resonance, we have proved that it conforms to the classical physical theory and expounded the reason why the absorption peaks were formed. The comparison of different graphene patterns has confirmed the superiority of this structure. By changing the relaxation time and Fermi level of graphene, the tunability of the absorber structure has been verified. Changing the incident angle has proved its insensitivity to the polarization angle (0° - 50°). Finally, by calculating and comparing the figure of merit (FOM) and the sensitivity (S), it is shown that this structure has significant sensitivity and excellent application ability and value. We firmly believe that our absorber can be well applied in high-sensitivity sensors, filters and detectors, and can contribute to fields such as photoelectric detection, optical communication and photoelectric sensing.
{"title":"High sensitivity and high figure of merit graphene mid-infrared multi-band tunable metamaterial perfect absorber","authors":"","doi":"10.1016/j.surfin.2024.105137","DOIUrl":"10.1016/j.surfin.2024.105137","url":null,"abstract":"<div><div>In the research of this paper, we have devised a mid-infrared band metamaterial perfect absorber made of graphene material. The absorber is composed of a traditional three-layer structure of MPA. The top layer is a graphene layer with a specific structure, with SiO<sub>2</sub> as the dielectric layer and the gold film as the substrate. In the wavelength range of 5500 – 13,000 nm, the graphene layer generates seven absorption peaks and shows ultra-high absorption efficiency. The respective absorption rates are 91.17 %, 99.41 %, 99.01 %, 95.69 %, 94.16 %, 96.89 %, and 95.01 %. By verifying the absorption spectra and the principle of effective impedance matching, analyze the electric field distribution image of the xoy plane based on the principle of surface plasmon resonance, we have proved that it conforms to the classical physical theory and expounded the reason why the absorption peaks were formed. The comparison of different graphene patterns has confirmed the superiority of this structure. By changing the relaxation time and Fermi level of graphene, the tunability of the absorber structure has been verified. Changing the incident angle has proved its insensitivity to the polarization angle (0° - 50°). Finally, by calculating and comparing the figure of merit (FOM) and the sensitivity (S), it is shown that this structure has significant sensitivity and excellent application ability and value. We firmly believe that our absorber can be well applied in high-sensitivity sensors, filters and detectors, and can contribute to fields such as photoelectric detection, optical communication and photoelectric sensing.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142315067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-19DOI: 10.1016/j.surfin.2024.105135
A set of MOFs-derived Co3O4@MnOx hollow-sphere were synthesized to develop a catalyst for the photothermal catalytic removal of NO using acetone as a reducing agent. The study systematically investigated the impact of organic ligands and photoactive substances on energy transfer and photothermocatalytic reactions involving acetone and NO under 5 vol % H2O with the catalysts. At 240°C, sample C-5/1 (with an organic ligand added and Co/Mn molar ratio of 5/1) demonstrated 75 % NO conversion and 65 % acetone conversion. The highest catalytic performance was observed in the L-Py sample (with photoactive substance was added), achieving 80 % NO and 69 % acetone conversion at 240°C. The catalyst demonstrated low crystallinity, and the introduction structural defects through ligands adjusted the ratio of active components. Meanwhile, enhanced catalytic performance was attributed to light energy scattering in the inner space of microspheres, resulting in the efficient transfer of 2.17 eV energy with the addition of two photoactive substances. The elevated concentration of surface-active oxygen facilitated oxidation, while Mn/Mn+1 (Mn3+/Mn4+ and Co2+/Co3+) redox cycling supplied surface oxygen in the photothermal low-temperature response. The proposed mechanism for the simultaneous degradation of acetone and NO was elucidated using Density Functional Theory calculations.
研究人员合成了一组由 MOFs 衍生的 Co3O4@MnOx 空心球，用于开发一种以丙酮为还原剂光热催化去除 NO 的催化剂。研究系统地考察了有机配体和光活性物质对能量传递的影响，以及催化剂在 5 vol % H2O 条件下与丙酮和 NO 发生的光热催化反应。240°C 时，样品 C-5/1（添加了有机配体，Co/Mn 摩尔比为 5/1）的 NO 转化率为 75%，丙酮转化率为 65%。催化性能最高的是 L-Py 样品（添加了光活性物质），在 240°C 时实现了 80% 的氮氧化物转化率和 69% 的丙酮转化率。催化剂的结晶度较低，通过配体引入结构缺陷调整了活性成分的比例。同时，催化性能的增强归因于微球内部空间的光能散射，在添加两种光活性物质后，2.17 eV 的能量得以有效传递。表面活性氧浓度的升高促进了氧化，而 Mn/Mn+1（Mn3+/Mn4+ 和 Co2+/Co3+）氧化还原循环则在光热低温反应中提供了表面氧。密度泛函理论计算阐明了丙酮和 NO 同时降解的机理。
{"title":"Effects of organic ligands and photoactive substances on MOFs-derived Co3O4@MnOx hollow-sphere structure for efficient energy transfer and photothermocatalysis of acetone and NO","authors":"","doi":"10.1016/j.surfin.2024.105135","DOIUrl":"10.1016/j.surfin.2024.105135","url":null,"abstract":"<div><p>A set of MOFs-derived Co<sub>3</sub>O<sub>4</sub>@MnO<sub>x</sub> hollow-sphere were synthesized to develop a catalyst for the photothermal catalytic removal of NO using acetone as a reducing agent. The study systematically investigated the impact of organic ligands and photoactive substances on energy transfer and photothermocatalytic reactions involving acetone and NO under 5 vol % H<sub>2</sub>O with the catalysts. At 240°C, sample C-5/1 (with an organic ligand added and Co/Mn molar ratio of 5/1) demonstrated 75 % NO conversion and 65 % acetone conversion. The highest catalytic performance was observed in the L-Py sample (with photoactive substance was added), achieving 80 % NO and 69 % acetone conversion at 240°C. The catalyst demonstrated low crystallinity, and the introduction structural defects through ligands adjusted the ratio of active components. Meanwhile, enhanced catalytic performance was attributed to light energy scattering in the inner space of microspheres, resulting in the efficient transfer of 2.17 eV energy with the addition of two photoactive substances. The elevated concentration of surface-active oxygen facilitated oxidation, while M<sup>n</sup>/M<sup>n+1</sup> (Mn<sup>3+</sup>/Mn<sup>4+</sup> and Co<sup>2+</sup>/Co<sup>3+</sup>) redox cycling supplied surface oxygen in the photothermal low-temperature response. The proposed mechanism for the simultaneous degradation of acetone and NO was elucidated using Density Functional Theory calculations.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142272169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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