Pub Date : 2024-10-05DOI: 10.1016/j.flatc.2024.100756
Yuming Dai , Zhendong Hao , Yuhan Zeng , Guochang Li , Zhen Shen , Xingyu Zhu , Yuqian Xu , Xue Wang , Fangyu Zhu , Lijun Yang , Xizhang Wang , Qiang Wu , Zheng Hu
High-performance electrode materials are crucial for enhancing the performance of supercapacitors. Among various candidates, pseudo-capacitive SnS2 is a promising one due to its high specific capacitance, earth-abundance, nontoxicity as well as low-cost. However, its actual electrochemical performance is restricted owing to the poor intrinsic conductivity and current fabrication processes on improving the conductivity are usually complicated. In this study, based on first-principles calculations, Pb doping is introduced to enhance the conductivity of SnS2. Pb-doped SnS2 nanosheets are synthesized via a simple one-step hydrothermal method. With trace Pb doping (Pbo.o1SnS2), an impressive 4-order-of-magnitude increase in conductivity was achieved compared to pristine SnS2. Furthermore, Pb-doped SnS2 nanosheets exhibit a superior mass-specific capacitance of 533.7 F g−1 at 50 mV s−1 and excellent long-term capacitance retention of 90.2 % over 100,000 cycles at 5 A g−1. This study presents a simple and effective approach to enhancing the supercapacitor performance of SnS2 and advances the practical applications of electrochemical energy storage devices based on 2D materials.
{"title":"Boosting supercapacitive performance of SnS2 via trace Pb doping","authors":"Yuming Dai , Zhendong Hao , Yuhan Zeng , Guochang Li , Zhen Shen , Xingyu Zhu , Yuqian Xu , Xue Wang , Fangyu Zhu , Lijun Yang , Xizhang Wang , Qiang Wu , Zheng Hu","doi":"10.1016/j.flatc.2024.100756","DOIUrl":"10.1016/j.flatc.2024.100756","url":null,"abstract":"<div><div>High-performance electrode materials are crucial for enhancing the performance of supercapacitors. Among various candidates, pseudo-capacitive SnS<sub>2</sub> is a promising one due to its high specific capacitance, earth-abundance, nontoxicity as well as low-cost. However, its actual electrochemical performance is restricted owing to the poor intrinsic conductivity and current fabrication processes on improving the conductivity are usually complicated. In this study, based on first-principles calculations, Pb doping is introduced to enhance the conductivity of SnS<sub>2</sub>. Pb-doped SnS<sub>2</sub> nanosheets are synthesized via a simple one-step hydrothermal method. With trace Pb doping (Pb<sub>o</sub>.<sub>o1</sub>SnS<sub>2</sub>), an impressive 4-order-of-magnitude increase in conductivity was achieved compared to pristine SnS<sub>2</sub>. Furthermore, Pb-doped SnS<sub>2</sub> nanosheets exhibit a superior mass-specific capacitance of 533.7 F g<sup>−1</sup> at 50 mV s<sup>−1</sup> and excellent long-term capacitance retention of 90.2 % over 100,000 cycles at 5 A g<sup>−1</sup>. This study presents a simple and effective approach to enhancing the supercapacitor performance of SnS<sub>2</sub> and advances the practical applications of electrochemical energy storage devices based on 2D materials.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100756"},"PeriodicalIF":5.9,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study explores the potential of using spent lithium-ion battery anodes (graphite) for fabricating symmetric energy devices through a simple regeneration process. Specifically, the use of fluorine-doped reduced graphene oxide (RGO) nanosheets derived from waste batteries as the basis for a symmetric supercapacitor (SC) device is investigated. To enhance the electrochemical energy storage capabilities, a facile hydrothermal technique is employed to synthesize fluorinated graphene. Fluorination of the graphene sheets is successfully realized, as confirmed by the presence of boron with a 2.94 at.% fluorine-doped level, according to the Energy dispersive spectroscopy (EDS) spectrum analysis. Electrochemical analysis of the F-RGO electrode performance consistent with electric double-layer capacitance. Moreover, with a three-electrode system, the F-RGO electrode achieves a maximum specific capacitance of 207F/g under a current density of 1 A/g. A two-electrode symmetric device employing F-RGO exhibits a specific capacitance of 54F/g at 1 A/g. Furthermore, electrochemical impedance measurements demonstrate low charge transfer resistance (Rct) values, specifically 8.63 Ω for F-RGO, signifying improved electrochemical performance. Thus, fluorine atomic doping in RGO nanosheets contributes to the improvements of the specific capacitance and overall superior electrochemical performance of F-RGO, and F-RGO is a highly electrochemical active material for high-performance energy storage electrodes for SCs.
{"title":"Fluorinated reduced graphene oxide nanosheets for symmetric supercapacitor device performance","authors":"Vediyappan Thirumal , Bathula Babu , Planisamy Rajkumar , Jin-Ho Kim , Kisoo Yoo","doi":"10.1016/j.flatc.2024.100757","DOIUrl":"10.1016/j.flatc.2024.100757","url":null,"abstract":"<div><div>This study explores the potential of using spent lithium-ion battery anodes (graphite) for fabricating symmetric energy devices through a simple regeneration process. Specifically, the use of fluorine-doped reduced graphene oxide (RGO) nanosheets derived from waste batteries as the basis for a symmetric supercapacitor (SC) device is investigated. To enhance the electrochemical energy storage capabilities, a facile hydrothermal technique is employed to synthesize fluorinated graphene. Fluorination of the graphene sheets is successfully realized, as confirmed by the presence of boron with a 2.94 at.% fluorine-doped level, according to the Energy dispersive spectroscopy (EDS) spectrum analysis. Electrochemical analysis of the F-RGO electrode performance consistent with electric double-layer capacitance. Moreover, with a three-electrode system, the F-RGO electrode achieves a maximum specific capacitance of 207F/g under a current density of 1 A/g. A two-electrode symmetric device employing F-RGO exhibits a specific capacitance of 54F/g at 1 A/g. Furthermore, electrochemical impedance measurements demonstrate low charge transfer resistance (Rct) values, specifically 8.63 Ω for F-RGO, signifying improved electrochemical performance. Thus, fluorine atomic doping in RGO nanosheets contributes to the improvements of the specific capacitance and overall superior electrochemical performance of F-RGO, and F-RGO is a highly electrochemical active material for high-performance energy storage electrodes for SCs.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100757"},"PeriodicalIF":5.9,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-10-05DOI: 10.1016/j.flatc.2024.100754
M. Guadalupe Gómez-Farfán , L. Avilés-Félix , Esteban D. Cantero , Esteban A. Sánchez , Laura N. Serkovic-Loli
Two-dimensional materials have shown tremendous potential for various technological applications. Particularly, 2D antimony exhibits high applicability in electronics, sensors, and batteries. This 2D material, known as antimonene, presents two stable phases: (rectangular lattice) and (honeycomb lattice), whose formation depends on the substrate where antimony is deposited. In this study, we investigated the growth of antimonene islands on graphene, forming an antimonene/graphene heterostructure. To demonstrate the significance of graphene in the synthesis of antimonene, we also studied antimony deposited on a bare copper foil similar to the one used for the graphene substrate. Antimony deposition exhibits the phase antimonene structure when deposited on top of monolayer graphene, but not when deposited on a bare copper foil, nor on top of multilayer graphene. Additionally, we investigated the stability of the heterostructure after exposure to air. Pure antimony islands are formed when evaporated in high vacuum on top of graphene and copper substrates, and antimony atoms oxidize upon exposure to air. After annealing the sample in ultra-high-vacuum at temperatures lower than 200 C, more than half of pure antimony is recovered and almost all oxidized antimony is desorbed from the graphene substrate. In contrast, almost none of the oxidized antimony is desorbed from the bare copper substrate, highlighting the key role of the heterostructure on the formation and preservation of the physical and chemical properties of the deposited 2D material.
二维材料在各种技术应用中显示出巨大的潜力。尤其是二维锑，在电子、传感器和电池领域具有很高的应用价值。这种被称为锑的二维材料呈现出两种稳定相：α（矩形晶格）和β（蜂窝晶格），其形成取决于沉积锑的基底。在本研究中，我们研究了锑岛在石墨烯上的生长，形成了锑/石墨烯异质结构。为了证明石墨烯在锑的合成中的重要性，我们还研究了沉积在裸铜箔上的锑，该铜箔与石墨烯基底所用的铜箔类似。当锑沉积在单层石墨烯上面时，会呈现出 β 相锑结构，而沉积在裸铜箔上或多层石墨烯上面时则不会。此外，我们还研究了异质结构暴露在空气中后的稳定性。在高真空中蒸发到石墨烯和铜基底上时，会形成纯粹的锑岛，暴露在空气中时锑原子会氧化。样品在温度低于 200 °C 的超高真空中退火后，一半以上的纯锑被回收，几乎所有氧化锑都从石墨烯基底中解吸出来。相比之下，几乎没有氧化锑从裸铜基底中解吸出来，这凸显了异质结构在形成和保持沉积二维材料的物理和化学特性方面的关键作用。
{"title":"Investigating the role of graphene in the formation and stability of β-phase antimonene islands","authors":"M. Guadalupe Gómez-Farfán , L. Avilés-Félix , Esteban D. Cantero , Esteban A. Sánchez , Laura N. Serkovic-Loli","doi":"10.1016/j.flatc.2024.100754","DOIUrl":"10.1016/j.flatc.2024.100754","url":null,"abstract":"<div><div>Two-dimensional materials have shown tremendous potential for various technological applications. Particularly, 2D antimony exhibits high applicability in electronics, sensors, and batteries. This 2D material, known as antimonene, presents two stable phases: <span><math><mrow><mi>α</mi></mrow></math></span> (rectangular lattice) and <span><math><mrow><mi>β</mi></mrow></math></span> (honeycomb lattice), whose formation depends on the substrate where antimony is deposited. In this study, we investigated the growth of antimonene islands on graphene, forming an antimonene/graphene heterostructure. To demonstrate the significance of graphene in the synthesis of antimonene, we also studied antimony deposited on a bare copper foil similar to the one used for the graphene substrate. Antimony deposition exhibits the <span><math><mrow><mi>β</mi></mrow></math></span> phase antimonene structure when deposited on top of monolayer graphene, but not when deposited on a bare copper foil, nor on top of multilayer graphene. Additionally, we investigated the stability of the heterostructure after exposure to air. Pure antimony islands are formed when evaporated in high vacuum on top of graphene and copper substrates, and antimony atoms oxidize upon exposure to air. After annealing the sample in ultra-high-vacuum at temperatures lower than 200 <span><math><mrow><mi>°</mi></mrow></math></span>C, more than half of pure antimony is recovered and almost all oxidized antimony is desorbed from the graphene substrate. In contrast, almost none of the oxidized antimony is desorbed from the bare copper substrate, highlighting the key role of the heterostructure on the formation and preservation of the physical and chemical properties of the deposited 2D material.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100754"},"PeriodicalIF":5.9,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-09-29DOI: 10.1016/j.flatc.2024.100753
Vinícius G. Garcia , Guilherme J. Inacio , Luciano F. Filho , Luíza T. Pacheco , Fernando N.N. Pansini , Marcos G. Menezes , Wendel S. Paz
In this study, the structural, electronic, and optical properties of 2D α-Ge(1 1 1) are investigated using Density Functional Theory (DFT) calculations, complemented by many-body perturbation theory calculations based on the GW/BSE approach. The thermodynamic stability of this material is assessed through ab initio molecular dynamics simulations (AIMD), and their dynamic stability is confirmed via phonon dispersion calculations. The analysis of the optical properties reveals significant absorption peaks in both visible and ultraviolet regions, with an absorption edge at 47 eV (1.87 eV without excitonic effects). The band edges are well-aligned with water redox potentials at neutral pH, making them suitable for water-splitting applications. For other pH levels, we find the process may be feasible through the participation of different excited states populated by light absorption. Remarkably, the α-Ge(1 1 1) monolayer demonstrates a predicted solar-to-hydrogen conversion efficiency of 34.80 %, outperforming many other two-dimensional materials. These findings position the α-Ge(1 1 1) monolayer as a promising candidate for developing efficient photocatalytic materials for hydrogen generation via overall water splitting.
{"title":"Exploring the potential of α-Ge(1 1 1) monolayer in photocatalytic water splitting for hydrogen production","authors":"Vinícius G. Garcia , Guilherme J. Inacio , Luciano F. Filho , Luíza T. Pacheco , Fernando N.N. Pansini , Marcos G. Menezes , Wendel S. Paz","doi":"10.1016/j.flatc.2024.100753","DOIUrl":"10.1016/j.flatc.2024.100753","url":null,"abstract":"<div><div>In this study, the structural, electronic, and optical properties of 2D α-Ge(1 1 1) are investigated using Density Functional Theory (DFT) calculations, complemented by many-body perturbation theory calculations based on the GW/BSE approach. The thermodynamic stability of this material is assessed through <em>ab initio</em> molecular dynamics simulations (AIMD), and their dynamic stability is confirmed via phonon dispersion calculations. The analysis of the optical properties reveals significant absorption peaks in both visible and ultraviolet regions, with an absorption edge at 47 eV (1<em>.</em>87 eV without excitonic effects). The band edges are well-aligned with water redox potentials at neutral pH, making them suitable for water-splitting applications. For other pH levels, we find the process may be feasible through the participation of different excited states populated by light absorption. Remarkably, the α-Ge(1 1 1) monolayer demonstrates a predicted solar-to-hydrogen conversion efficiency of 34.80 %, outperforming many other two-dimensional materials. These findings position the α-Ge(1 1 1) monolayer as a promising candidate for developing efficient photocatalytic materials for hydrogen generation via overall water splitting.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100753"},"PeriodicalIF":5.9,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418177","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-09-26DOI: 10.1016/j.flatc.2024.100752
Silvia Rinaldi , Amalia Malina Grigoras , Maria Caporali , Manuel Serrano-Ruiz , Maurizio Peruzzini , Andrea Ienco , Loredana Latterini
Among 2D materials, exfoliated black phosphorus (or phosphorene) shows great promise for applications in biological domains. However, despite its performances, little is known about the intricate and dynamic interactions that this material can form with proteins. This increases the risk of off-target effects and adds complexity in designing phosphorene-based devices with tailored properties. In this study, we present a straightforward and easily implementable pipeline that integrates spectroscopies with Molecular Dynamics simulations to explore the dynamic interplay between phosphorene and a protein system. Using lysozyme as a deeply investigated reference protein, we employed two theoretical protein models with unique secondary structure folds to increase the descriptive power of the approach and disentangle the complexity and variability of experimental data into a few primary drivers of protein-phosphorene interactions. Our results show that the 2D material does not significantly alter the protein structure, but the observed conformational changes are influenced by the secondary fold. Indeed, while the beta structure interacts mainly through unfolded regions, the alpha fold favours phosphorene binding through structured clusters of residues, leading to more significant structural and dynamic perturbations. By utilizing this pipeline, we have gained valuable insights into the molecular recognition mechanism of phosphorene, enhancing the development of improved phosphorene-based devices. In addition, our methodology offers potential for further applications in biomedicine to characterise interfaces between other 2D (nano)materials and biological entities.
{"title":"Exploring phosphorene-protein interactions: An integrated computational and spectroscopic investigation","authors":"Silvia Rinaldi , Amalia Malina Grigoras , Maria Caporali , Manuel Serrano-Ruiz , Maurizio Peruzzini , Andrea Ienco , Loredana Latterini","doi":"10.1016/j.flatc.2024.100752","DOIUrl":"10.1016/j.flatc.2024.100752","url":null,"abstract":"<div><div>Among 2D materials, exfoliated black phosphorus (or phosphorene) shows great promise for applications in biological domains. However, despite its performances, little is known about the intricate and dynamic interactions that this material can form with proteins. This increases the risk of off-target effects and adds complexity in designing phosphorene-based devices with tailored properties. In this study, we present a straightforward and easily implementable pipeline that integrates spectroscopies with Molecular Dynamics simulations to explore the dynamic interplay between phosphorene and a protein system. Using lysozyme as a deeply investigated reference protein, we employed two theoretical protein models with unique secondary structure folds to increase the descriptive power of the approach and disentangle the complexity and variability of experimental data into a few primary drivers of protein-phosphorene interactions. Our results show that the 2D material does not significantly alter the protein structure, but the observed conformational changes are influenced by the secondary fold. Indeed, while the beta structure interacts mainly through unfolded regions, the alpha fold favours phosphorene binding through structured clusters of residues, leading to more significant structural and dynamic perturbations. By utilizing this pipeline, we have gained valuable insights into the molecular recognition mechanism of phosphorene, enhancing the development of improved phosphorene-based devices. In addition, our methodology offers potential for further applications in biomedicine to characterise interfaces between other 2D (nano)materials and biological entities.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100752"},"PeriodicalIF":5.9,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-09-26DOI: 10.1016/j.flatc.2024.100751
Mina Maruyama, Susumu Okada
Electrostatic properties of hexagonal boron nitride (hBN) thin films with different stacking arrangements were investigated using density functional theory combined with the effective screening medium method. Our calculations showed that the dielectric properties across layers of hBN thin films are sensitive to both the interlayer stacking arrangement and the number of layers. The polarization of bilayer hBN gradually decreases with increasing lateral displacement from AB stacking, and polarity inversion occurs for particular stacking arrangements. The polarity of bilayer hBN is sensitive to twisting displacement. The polarity monotonically increases with increasing the number of layers in hBN films with rhombohedral stacking arrangement.
我们使用密度泛函理论结合有效屏蔽介质法研究了具有不同堆叠排列的六方氮化硼（hBN）薄膜的静电特性。计算结果表明，氮化硼薄膜的跨层介电特性对层间堆叠排列和层数都很敏感。双层 hBN 的极化随着 AB 层堆叠横向位移的增加而逐渐减小，在特定的堆叠排列中会出现极性反转。双层氢化硼的极性对扭曲位移很敏感。在具有斜方堆积排列的 hBN 薄膜中，极性随着层数的增加而单调增加。
{"title":"Effect of interlayer stacking arrangement on the dielectric properties of hexagonal boron nitride thin films","authors":"Mina Maruyama, Susumu Okada","doi":"10.1016/j.flatc.2024.100751","DOIUrl":"10.1016/j.flatc.2024.100751","url":null,"abstract":"<div><div>Electrostatic properties of hexagonal boron nitride (hBN) thin films with different stacking arrangements were investigated using density functional theory combined with the effective screening medium method. Our calculations showed that the dielectric properties across layers of hBN thin films are sensitive to both the interlayer stacking arrangement and the number of layers. The polarization of bilayer hBN gradually decreases with increasing lateral displacement from AB stacking, and polarity inversion occurs for particular stacking arrangements. The polarity of bilayer hBN is sensitive to twisting displacement. The polarity monotonically increases with increasing the number of layers in hBN films with rhombohedral stacking arrangement.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100751"},"PeriodicalIF":5.9,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-09-24DOI: 10.1016/j.flatc.2024.100750
Mrinal Kanti Kabiraz , Hafidatul Wahidah , Jong Wook Hong , Sang-Il Choi
Two-dimensional (2D) nanosheets with high surface-to-volume ratios have garnered significant attention for their electrocatalytic properties. This study explores the characterization and electrocatalytic performance of highly porous monometallic platinum (Pt) nanosheets and bimetallic platinum-nickel (Pt3Ni) nanosheets for the hydrogen evolution reaction (HER) in both alkaline and acidic media. Advanced characterization techniques were employed to elucidate the morphological and compositional properties of the Pt and Pt3Ni nanosheets. Electrochemical characterization demonstrated that Pt3Ni nanosheets/C outperformed Pt nanosheets/C and commercial Pt/C in terms of HER activity and stability. The enhanced HER performance of Pt3Ni nanosheets/C is believed to be due to the dominance of the Volmer-Tafel mechanism. These findings highlight the potential of 2D bimetallic nanosheets and suggest a promising avenue for advancing hydrogen energy technologies.
具有高表面体积比的二维（2D）纳米片因其电催化特性而备受关注。本研究探讨了高多孔单金属铂（Pt）纳米片和双金属铂镍（Pt3Ni）纳米片在碱性和酸性介质中进行氢进化反应（HER）的表征和电催化性能。研究人员采用了先进的表征技术来阐明铂和铂镍纳米片的形态和组成特性。电化学表征结果表明，就 HER 活性和稳定性而言，Pt3Ni 纳米片/C 优于 Pt 纳米片/C 和商用 Pt/C。Pt3Ni 纳米片/C 增强的 HER 性能被认为是由于 Volmer-Tafel 机制的主导作用。这些发现凸显了二维双金属纳米片的潜力，并为推动氢能技术的发展提供了一条前景广阔的途径。
{"title":"Highly porous Pt3Ni nanosheets for enhanced hydrogen evolution reaction","authors":"Mrinal Kanti Kabiraz , Hafidatul Wahidah , Jong Wook Hong , Sang-Il Choi","doi":"10.1016/j.flatc.2024.100750","DOIUrl":"10.1016/j.flatc.2024.100750","url":null,"abstract":"<div><div>Two-dimensional (2D) nanosheets with high surface-to-volume ratios have garnered significant attention for their electrocatalytic properties. This study explores the characterization and electrocatalytic performance of highly porous monometallic platinum (Pt) nanosheets and bimetallic platinum-nickel (Pt<sub>3</sub>Ni) nanosheets for the hydrogen evolution reaction (HER) in both alkaline and acidic media. Advanced characterization techniques were employed to elucidate the morphological and compositional properties of the Pt and Pt<sub>3</sub>Ni nanosheets. Electrochemical characterization demonstrated that Pt<sub>3</sub>Ni nanosheets/C outperformed Pt nanosheets/C and commercial Pt/C in terms of HER activity and stability. The enhanced HER performance of Pt<sub>3</sub>Ni nanosheets/C is believed to be due to the dominance of the Volmer-Tafel mechanism. These findings highlight the potential of 2D bimetallic nanosheets and suggest a promising avenue for advancing hydrogen energy technologies.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100750"},"PeriodicalIF":5.9,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142356712","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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.flatc.2024.100749
Muthumariappan Akilarasan , Santhiyagu Sahayaraj Rex Shanlee , Shen-Ming Chen , Wasif Farooq , Pichai Christina Ruby Stella
Sulfamethoxazole (SMX), a widely used antibiotic, poses significant environmental and health risks due to its persistence and mobility in water systems, potentially leading to antibiotic resistance and ecological harm. Herein, we developed an electrochemical sensor based on Bismuth Ferrite (BiFeO3)/Halloysite Nanotube (BFO/HNT) composite for sensitive and selective SMX detection. The BFO/HNT composite was synthesized via a hydrothermal method and comprehensively characterized using EDS mapping, HRTEM, XRD, FT-IR, and XPS analysis. The BFO/HNT composite enhances the sensor’s performance due to its unique properties, such as increased electrochemical surface area (ECSA) and efficient electron transfer capability. The B-cation (Fe) in the BiFeO3 matrix plays a crucial role in boosting the electrochemical response by facilitating redox reactions. In addition, the HNTs provide a high surface area and excellent adsorption capabilities, which improve the sensor’s sensitivity by facilitating better interaction with SMX molecules. As the results, the prepared sensor demonstrates an impressive linear detection range of 0.01 to 2 µM and 22 to 122 µM, with a detection limit as low as 0.017 µM. Practical applications were validated by detecting SMX in tap water and artificial saliva, achieving high recovery rates of 98.87 % and 99.11 %.
{"title":"In-situ Profiling of Environmental Hazardous Sulfamethoxazole in Aquatic and Artificial Saliva samples Using Perovskite Structured Bismuth Ferrite Incorporated Halloysite Nanotubes","authors":"Muthumariappan Akilarasan , Santhiyagu Sahayaraj Rex Shanlee , Shen-Ming Chen , Wasif Farooq , Pichai Christina Ruby Stella","doi":"10.1016/j.flatc.2024.100749","DOIUrl":"10.1016/j.flatc.2024.100749","url":null,"abstract":"<div><div>Sulfamethoxazole (SMX), a widely used antibiotic, poses significant environmental and health risks due to its persistence and mobility in water systems, potentially leading to antibiotic resistance and ecological harm. Herein, we developed an electrochemical sensor based on Bismuth Ferrite (BiFeO<sub>3</sub>)/Halloysite Nanotube (BFO/HNT) composite for sensitive and selective SMX detection. The BFO/HNT composite was synthesized via a hydrothermal method and comprehensively characterized using EDS mapping, HRTEM, XRD, FT-IR, and XPS analysis. The BFO/HNT composite enhances the sensor’s performance due to its unique properties, such as increased electrochemical surface area (ECSA) and efficient electron transfer capability. The B-cation (Fe) in the BiFeO<sub>3</sub> matrix plays a crucial role in boosting the electrochemical response by facilitating redox reactions. In addition, the HNTs provide a high surface area and excellent adsorption capabilities, which improve the sensor’s sensitivity by facilitating better interaction with SMX molecules. As the results, the prepared sensor demonstrates an impressive linear detection range of 0.01 to 2 µM and 22 to 122 µM, with a detection limit as low as 0.017 µM. Practical applications were validated by detecting SMX in tap water and artificial saliva, achieving high recovery rates of 98.87 % and 99.11 %.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100749"},"PeriodicalIF":5.9,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142318549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Recently, the utilization of heterogeneous photocatalysts has been proposed as an effective solution for environmental purification, as one of the solar energy conversion processes, under mild conditions. In this research, MnMoO4·H2O nanoparticles were anchored on tubular g-C3N4 (abbreviated as TGCN) by a one-pot hydrothermal route. The phase structure, electronic environment, spectroscopic characteristics, composition, morphology, surface area, and electrochemical properties of the resultant materials were explored using XRD, XPS, EDX, FESEM, HRTEM, FTIR, PL, photocurrent, EIS, and BET analyses. The photocatalytic activity of TGCN/MnMoO4·H2O (20 %) nanocomposite was 4.25, 5.36, 9.07, 12.4, and 8.84 times better than modified GCN, and 3.91, 2.77, 6.24, 10.9, and 6.82 times higher than MnMoO4·H2O in removals of tetracycline, rhodamine B, methylene blue, methyl orange, and fuchsine pollutants, respectively. The improved visible-light absorption and rapid charge migration/separation between TGCN and MnMoO4·H2O counterparts through S-scheme heterojunction route were the key reasons for the boosted photocatalytic performance. The biocompatibility of solution after decomposition of tetracycline via the growth of wheat seeds was verified. Finally, the stability of the binary TGCN/MnMoO4·H2O (20 %) heterostructure was measured by the stability test after four reuses.
{"title":"G-C3N4 tubes decorated with MnMoO4·H2O: Outstanding S-scheme photocatalyst for detoxification of water pollutants upon visible light","authors":"Zahra Lahootifar , Aziz Habibi-Yangjeh , Zahra Salmanzadeh-Jamadi , Alireza Khataee","doi":"10.1016/j.flatc.2024.100738","DOIUrl":"10.1016/j.flatc.2024.100738","url":null,"abstract":"<div><p>Recently, the utilization of heterogeneous photocatalysts has been proposed as an effective solution for environmental purification, as one of the solar energy conversion processes, under mild conditions. In this research, MnMoO<sub>4</sub>·H<sub>2</sub>O nanoparticles were anchored on tubular g-C<sub>3</sub>N<sub>4</sub> (abbreviated as TGCN) by a one-pot hydrothermal route. The phase structure, electronic environment, spectroscopic characteristics, composition, morphology, surface area, and electrochemical properties of the resultant materials were explored using XRD, XPS, EDX, FESEM, HRTEM, FTIR, PL, photocurrent, EIS, and BET analyses. The photocatalytic activity of TGCN/MnMoO<sub>4</sub>·H<sub>2</sub>O (20 %) nanocomposite was 4.25, 5.36, 9.07, 12.4, and 8.84 times better than modified GCN, and 3.91, 2.77, 6.24, 10.9, and 6.82 times higher than MnMoO<sub>4</sub>·H<sub>2</sub>O in removals of tetracycline, rhodamine B, methylene blue, methyl orange, and fuchsine pollutants, respectively. The improved visible-light absorption and rapid charge migration/separation between TGCN and MnMoO<sub>4</sub>·H<sub>2</sub>O counterparts through S-scheme heterojunction route were the key reasons for the boosted photocatalytic performance. The biocompatibility of solution after decomposition of tetracycline via the growth of wheat seeds was verified. Finally, the stability of the binary TGCN/MnMoO<sub>4</sub>·H<sub>2</sub>O (20 %) heterostructure was measured by the stability test after four reuses.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100738"},"PeriodicalIF":5.9,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-09-10DOI: 10.1016/j.flatc.2024.100736
Seyed Ali Zargar , Mitra Gharivi , Omid Bagheri , Adrine Malek Khachatourian , Ali Hashemi
Nowadays, the growing global population and increased industrialization have exacerbated water pollution, posing a significant environmental threat. To tackle this issue, there is an urgent need for effective catalysts to remove pollutants. This study developed a novel N-doped g-C3N4/Nd-doped ZnO (NZ) heterostructure using a green approach by incorporating pomegranate peel waste as a stabilizing and capping agent. Characterization techniques confirmed successful NZ nanohybrid preparation. The synthesized NZ displayed high photocatalytic activity in degrading methylene blue (MB) and tetracycline (TC) pollutants found in wastewater, achieving degradation efficiencies of 95.3 % and 98.3 %, respectively. Meanwhile, it demonstrated satisfactory photostability after five-cycle experiments. The radical trapping experiments revealed that superoxide (O2−) and hydroxyl (OH) are the dominant active species and play an essential role in photocatalytic pollutant deterioration. Additionally, it exhibited suitable antimicrobial activity against Staphylococcus aureus and Vibrio cholerae bacterial strains. The enhanced performance is attributed to the abundant reaction sites of porous N-doped g-C3N4, the photo-redox capability of Nd-doped ZnO, and the efficient charge separation process in the Z-type heterojunction. This work advances sustainable and eco-friendly chemistry for the biosynthesis of organic/inorganic heterojunctions used in pollutant degradation and bacterial disinfection of wastewater.
如今，全球人口的不断增长和工业化进程的加快加剧了水污染，对环境构成了严重威胁。为解决这一问题，迫切需要有效的催化剂来去除污染物。本研究采用绿色方法，将石榴皮废料作为稳定剂和封盖剂，开发出一种新型的掺杂 N 的 g-C3N4 掺杂 Nd 的氧化锌（NZ）异质结构。表征技术证实了 NZ 纳米杂化的成功制备。合成的 NZ 在降解废水中的亚甲基蓝（MB）和四环素（TC）污染物方面具有很高的光催化活性，降解效率分别达到 95.3 % 和 98.3 %。同时，经过五次循环实验后，它还表现出令人满意的光稳定性。自由基捕获实验表明，超氧化物（O2-）和羟基（OH）是主要的活性物种，在光催化污染物降解过程中发挥着重要作用。此外，它还对金黄色葡萄球菌和霍乱弧菌菌株表现出适当的抗菌活性。性能的提高归功于多孔 N 掺杂 g-C3N4 的丰富反应位点、Nd 掺杂 ZnO 的光氧化还原能力以及 Z 型异质结中高效的电荷分离过程。这项工作推动了可持续的生态友好型化学，促进了用于污染物降解和废水细菌消毒的有机/无机异质结的生物合成。
{"title":"Green synthesis of Z-scheme N-doped g-C3N4/Nd-doped ZnO heterostructure by pomegranate waste peel with enhanced photocatalytic performance for organic pollutants removal and antibacterial activity","authors":"Seyed Ali Zargar , Mitra Gharivi , Omid Bagheri , Adrine Malek Khachatourian , Ali Hashemi","doi":"10.1016/j.flatc.2024.100736","DOIUrl":"10.1016/j.flatc.2024.100736","url":null,"abstract":"<div><p>Nowadays, the growing global population and increased industrialization have exacerbated water pollution, posing a significant environmental threat. To tackle this issue, there is an urgent need for effective catalysts to remove pollutants. This study developed a novel N-doped g-C<sub>3</sub>N<sub>4</sub>/Nd-doped ZnO (NZ) heterostructure using a green approach by incorporating pomegranate peel waste as a stabilizing and capping agent. Characterization techniques confirmed successful NZ nanohybrid preparation. The synthesized NZ displayed high photocatalytic activity in degrading methylene blue (MB) and tetracycline (TC) pollutants found in wastewater, achieving degradation efficiencies of 95.3 % and 98.3 %, respectively. Meanwhile, it demonstrated satisfactory photostability after five-cycle experiments. The radical trapping experiments revealed that superoxide (<sup><img></sup>O<sub>2</sub><sup>−</sup>) and hydroxyl (<sup><img></sup>OH) are the dominant active species and play an essential role in photocatalytic pollutant deterioration. Additionally, it exhibited suitable antimicrobial activity against <em>Staphylococcus aureus</em> and <em>Vibrio cholerae</em> bacterial strains. The enhanced performance is attributed to the abundant reaction sites of porous N-doped g-C<sub>3</sub>N<sub>4</sub>, the photo-redox capability of Nd-doped ZnO, and the efficient charge separation process in the Z-type heterojunction. This work advances sustainable and eco-friendly chemistry for the biosynthesis of organic/inorganic heterojunctions used in pollutant degradation and bacterial disinfection of wastewater.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100736"},"PeriodicalIF":5.9,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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