Materials Today Sustainability最新文献

{"title":"Nature-inspired healing: Biomimetic nanomaterials for advanced wound management","authors":"Elnaz Sarrami-Foroushani ,&nbsp;Maryam Yavari ,&nbsp;Atefeh Zarepour ,&nbsp;Arezoo Khosravi ,&nbsp;Siavash Iravani ,&nbsp;Ali Zarrabi","doi":"10.1016/j.mtsust.2024.100975","DOIUrl":"10.1016/j.mtsust.2024.100975","url":null,"abstract":"<div><p>This review explores the transformative potential of biomimetic nanomaterials in the realm of advanced wound management, focusing on their application in promoting healing of wound while preventing infections and/or real-time monitoring healing process. The intricate design of biomimetic nanomaterials allows for the targeted delivery of therapeutic agents, modulation of inflammatory responses, and promotion of tissue regeneration within the wound microenvironment. Despite their promising benefits, challenges such as complex design requirements, scalability issues, and long-term safety concerns need to be addressed to maximize the clinical utility of these innovative materials. By overcoming these challenges through interdisciplinary collaboration and technological advancements, the integration of biomimetic nanomaterials in wound management offers a promising avenue for personalized, efficient, and effective treatment strategies. Looking ahead, the future perspectives of biomimetic nanomaterials in advanced wound management hold immense potential for developing the field of wound care. By harnessing the regenerative properties, infection prevention capabilities, and smart real-time monitoring functionalities of biomimetic nanomaterials, healthcare providers can deliver tailor-made solutions that address the unique needs of individual patients and optimize healing outcomes. This review aims to provide insights into the challenges, opportunities, and future directions of utilizing biomimetic nanomaterials for advanced wound management, shedding light on the transformative impact of these innovative materials in improving patient well-being and redefining the standards of care in wound healing practices.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100975"},"PeriodicalIF":7.1,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163264","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}

{"title":"Synthesis of a MOF derived porous graphene and pyrolytic carbon supported zinc stannate nanohybrid electrode with enhanced lithium-ion storage performances","authors":"Xiangli Kong ,&nbsp;Ruixin Jia ,&nbsp;Hui Zeng ,&nbsp;Jiahui Li ,&nbsp;Zongyu Wang ,&nbsp;Kaige Sun ,&nbsp;Binghui Xu","doi":"10.1016/j.mtsust.2024.100967","DOIUrl":"10.1016/j.mtsust.2024.100967","url":null,"abstract":"<div><p>Compositing nano-sized zinc stannate (Zn₂SnO₄) with supportive carbon skeleton usually brings in improved lithium-ion storage performances. One of the most challenging tasks is to effectively stabilize Zn₂SnO₄ nanocrystals via simplified preparation routes from eco-friendly raw materials. In this work, the water-soluble natural molecule gallic acid (GA) is directly employed to coordinate with Zn²⁺/Sn²⁺ ions, and the corresponding metal-organic framework (MOF) precursor samples of pure Zn-GA MOF and bimetallic ZnSn-GA MOF can be synthesized. The Zn-GA MOF and ZnSn-GA MOF precursors are further converted to a three-dimensional (3D) porous graphene sample (ZMG) and a pyrolytic carbon domain supported Zn₂SnO₄ nanocomposite (Zn₂SnO₄@C), respectively, by taking the advantages of the unique micro-structures and compositions of MOF materials. By rationally mixing the ZMG and Zn₂SnO₄@C in electrode fabrication, the finally obtained Zn₂SnO₄@C/ZMG nanohybrid electrode exhibits a high reversible capacity of 1117 mAh·g⁻¹ after 500 cycles at a current density of 1000 mA g⁻¹ in half-cells as well as inspiring full-cell performance. The favorable synergistic effect in lithium-ion storage for the Zn₂SnO₄@C/ZMG electrode has been investigated. The MOF derived samples and involved sustainable synthesis protocols can be further developed for wider applications.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100967"},"PeriodicalIF":7.1,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151414","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}

{"title":"Significant performance enhancement of Zn-ion hybrid supercapacitors based on microwave-assisted pyrolyzed active carbon via synergistic effect of NaHCO3 activation and CNT networks","authors":"Zhuo Chen ,&nbsp;Qiang Qu ,&nbsp;Zhi-Zhen Chi ,&nbsp;Yang Hu ,&nbsp;Lin Zhu ,&nbsp;Ming-Qiang Zhu","doi":"10.1016/j.mtsust.2024.100977","DOIUrl":"10.1016/j.mtsust.2024.100977","url":null,"abstract":"<div><p>Zinc-ion hybrid supercapacitors (ZIHSCs) represents a promising technological approach for large-scale energy storage with the combined advantages of supercapacitors and zinc-ion batteries. Unfortunately, it is still challengeable to quickly fabricate low-cost, high-performance carbonaceous cathode materials at relatively low temperature. To address such issues, herein, taking waste <em>Eucommia ulmoides Oliver</em> (EUO) wood as an example, we present a novel microwave-assisted carbonization (MWC) approach at relatively low temperature to quickly prepare active carbon, and we present a synergistic strategy to significantly enhance the electrochemical performance by introducing sodium bicarbonate activation (SA) and constructing conductive carbon nanotubes (CNT) networks. The MWC-SA@CNT hybrid exhibits outstanding specific capacitance of 344.2 F/g at 0.2 A/g within three-electrode system, much better than conventional high-temperature pyrolyzed AC, MWC carbon, and MWC-SA carbon. The superior performance of MWC-SA@CNT can be attributed to the synergistic effect of its large specific surface area of 1102.7 m²/g, high mesoporous percentage of 53.5%, and rich –OH and C<img>O groups due to microwave-assisted carbonization and sodium bicarbonate activation, and rich electron transport paths due to the presence of CNT networks. Furthermore, ZIHSCs assembled by MWC-SA@CNT cathode could delivers impressive performance with excellent capacity (194.37 mA h/g at current density of 1 A/g), energy density (142.30 Wh/kg), and durability (capacitance retention rate of 97.65% after 5000 cycles). This work offers a rapid and low-temperature method for preparing wood-based active carbon with rich nanopores and strong conductivity to improve performance of Zinc ion storage.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100977"},"PeriodicalIF":7.1,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151418","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}

{"title":"Enhanced soft magnetic properties with high frequency stability of pure iron powder cores via high-pressure compaction – An environment and cost saving solution as a prospective alternative to soft magnetic composites","authors":"Zuzana Birčáková ,&nbsp;Miroslav Neslušan ,&nbsp;Peter Kollár ,&nbsp;Ján Füzer ,&nbsp;Radovan Bureš ,&nbsp;Mária Fáberová ,&nbsp;Bernd Weidenfeller ,&nbsp;Peter Minárik ,&nbsp;Vasily Milyutin","doi":"10.1016/j.mtsust.2024.100974","DOIUrl":"10.1016/j.mtsust.2024.100974","url":null,"abstract":"<div><p>The paper presents the analysis of the magnetic behaviour of soft magnetic powder compacts vs. the increasing compacting pressure. An unexpectedly positive result was obtained at a pressure of 1500 MPa, as the pure iron compact without coating of powder particles and without subsequent heat treatment showed very good magnetic properties compared to the class of soft magnetic composites (SMCs). In particular, the effective relative permeability of <span><math><mrow><msub><mi>μ</mi><mrow><mi>e</mi><mi>f</mi><mi>f</mi></mrow></msub></mrow></math></span> ∼120, stable up to a frequency <span><math><mrow><mi>f</mi></mrow></math></span> ∼200 kHz, the maximum total relative permeability of <span><math><mrow><msubsup><mi>μ</mi><mrow><mi>t</mi><mi>o</mi><mi>t</mi></mrow><mi>max</mi></msubsup></mrow></math></span> ∼700, and the specific electrical resistivity of <span><math><mrow><msub><mi>ρ</mi><mi>R</mi></msub></mrow></math></span> ∼10⁻⁵ Ω m. This phenomenon was explained on the basis of analyses of the samples microstructure, the magnetic and electrical properties, magnetization processes, inner demagnetizing fields, Barkhausen noise and thermal diffusivity. It was found that the grain size refinement inside iron particles occurs at certain elevated compaction pressure because the deformation bands gradually rise and break up with compaction pressure, leading to a higher resistivity of the compact thus to its SMC-like behaviour, despite the counteracting effect of increasing number of iron-iron bridges among neighbouring particles. The grain size refinement causes also the refinement of magnetic domain structure, which facilitates the magnetization reversal, although, the increased internal stresses and microstructural defects affect domain wall mobility negatively. The most favourable combination of the mentioned factors influences, finally resulting in the soft magnetic properties enhancement, appeared at 1500 MPa. Due to high-pressure compaction, the high density (above ∼95 % of iron density) of a compact was achieved, ensuring sufficient mechanical properties. The presented material can serve as a potential supplanter of SMCs in many applications as it provides evident advantages, such as its easy production with minimum chemical waste (because any additional chemical processes and substances needed for particle coatings in conventional SMCs are completely omitted), as well as easy recycling process, which makes it eco-friendly and cost-effective, nevertheless, maintaining the advantages of SMCs.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100974"},"PeriodicalIF":7.1,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142173667","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}

{"title":"Waste-derived Bhetki Fish (Lates calcarifer) dermal collagen and Mn, Zn doped bioactive glass composite electrospun mats as a synergistic approach to enhance wound healing","authors":"Chaudhuri Mohammad Tarif ,&nbsp;Pratik Das ,&nbsp;Tuhin Sarkar ,&nbsp;Pradyot Datta ,&nbsp;Prasenjit Mukherjee ,&nbsp;Samiran Mondal ,&nbsp;Subhasis Roy ,&nbsp;Piyali Basak ,&nbsp;Biswanath Kundu ,&nbsp;Samit Kumar Nandi","doi":"10.1016/j.mtsust.2024.100979","DOIUrl":"10.1016/j.mtsust.2024.100979","url":null,"abstract":"<div><p>Critical wounds require large-scale, low-cost treatments to restore damaged tissue and function. This work aims to investigate the potential of bioactive glasses with Bhetki (<em>Lates calcarifer</em>) skin-derived collagen in wound healing. SDS-PAGE analysis, UV-VIS, and FTIR spectra identify the isolated Bhetki fish collagen as type 1 collagen. The collagen is subsequently mixed into bioactive glass compositions (BAG, Mn-BAG, Zn-BAG, and Mn–Zn BAG) to develop electrospun mats. FTIR and XRD characterization confirms the successful combination of collagen with bioactive glass. SEM analysis revealed homogeneous, electrospun microfibrous mats with sub-micron to micro-sized fibers, highly porous interconnected networks, and EDX-confirmed elemental composition (C, N, O, Si, Mn, Zn), indicating successful BAG matrix doping. The antibacterial activity assessment revealed the efficacy of mats containing manganese (Mn), zinc (Zn), or a combination against <em>Escherichia coli</em> and <em>Staphylococcus aureus</em>. Cytocompatibility studies with L929 cells showed good cell proliferation. In a rabbit model, the mats, particularly the BFCol/MnZnBAG, demonstrated accelerated wound healing, with significant wound closure from 46.97% on day 3–4.77% on day 14, well-organized collagenous structures, and enhanced neovascularization as shown by CD31 positive staining. The findings suggest that these composite mats, especially the ion-doped variants, hold great promise for effective wound healing.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100979"},"PeriodicalIF":7.1,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163266","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}

{"title":"Molecular dynamics study on the thermophysical properties of KCl-CaCl2-NaCl ternary salt for magnesium alloy smelting","authors":"Junchao Wu,&nbsp;Zhaoyang Yin,&nbsp;Qichi Le,&nbsp;Xifeng Wei,&nbsp;Wenlai Li,&nbsp;Lei Bao,&nbsp;Tong Wang","doi":"10.1016/j.mtsust.2024.100980","DOIUrl":"10.1016/j.mtsust.2024.100980","url":null,"abstract":"<div><p>Chloride salts are widely used in magnesium alloy casting due to the low melting point, low cost, and effective purification. To improve the flux refining, it is essential to understand the relation between the composition and thermophysical properties of the flux, which cannot be achieved by conventional experimental means. In this study, molecular dynamics methods were carried out to explore the effects of temperature and composition on the physical properties (density, shear viscosity, and melt structure) of a commonly used flux. The results indicated that the lowest density of KCl among the three salts (KCl, CaCl₂, and NaCl) was attributed to the low ionic potential of K⁺. The increase in the mean distance between the ions reduced the density of the system, weakening the deformation resistance and decreasing the shear viscosity. Therefore, Classical molecular dynamics represents a viable alternative to some high temperature, highly volatile, and corrosive experiments.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100980"},"PeriodicalIF":7.1,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151417","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}

{"title":"Chemical growth of Niobium-doped vanadium pentoxide on aminated graphene for all-solid-state asymmetric supercapacitors","authors":"Jyoti Singh ,&nbsp;Md Wasi Ahmad ,&nbsp;Arup Choudhury ,&nbsp;Jehan Y. Al-Humaidi ,&nbsp;SK Safdar Hossain ,&nbsp;Mazhar Ul-Islam ,&nbsp;Mohammed M. Rahman ,&nbsp;Duck-Joo Yang","doi":"10.1016/j.mtsust.2024.100969","DOIUrl":"10.1016/j.mtsust.2024.100969","url":null,"abstract":"<div><p>In this investigation, niobium-doped vanadium pentoxide (Nb–V₂O₅) was grown on the surface of amine-functionalized graphene nanosheets (NH₂-Gr) using an in-situ hydrothermal method and explored the hybrid material as a positive electrode for the fabrication of an all-solid-state asymmetric supercapacitor (ASC). We have used KOH-loaded poly(acrylonitrile-<em>co</em>-1-vinylimidazole) (KOH/P(AN-<em>Co</em>-VIM)) gel as a solid electrolyte-cum-separator and exfoliated graphene (XGnP) as a negative electrode in the ASC. The morphological analysis of the Nb–V₂O₅/NH₂-Gr hybrid revealed homogeneous growth of Nb–V₂O₅ on NH₂-Gr nanosheets, while surface analysis confirmed a large fraction of mesopores with large surface areas in the hybrid. The hybrid electrode achieved a high specific capacitance of 1141.1 F/g at 1 A/g with 80.3% capacitance retention even after a 10-fold increase in current density, a significantly higher performance than a pure Nb–V₂O₅ electrode. As-assembled solid-state ASC device delivered a high energy density of 79.39 Wh kg⁻¹ at a power density of 280.3 W kg⁻¹, even though it retained high energy density at a higher power density of 12 kW kg⁻¹. The ASC exhibited slow a self-discharge rate owing to the suppression of Ohmic leakage by the use of KOH/P(AN-<em>co</em>-VIM) gel electrolyte. Thus, the as-synthesized Nb–V₂O₅/NH₂-Gr hybrid is an ideal alternative candidate for future supercapacitors.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100969"},"PeriodicalIF":7.1,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151419","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}

{"title":"Recent advances in piezo-photocatalytic heterojunctions for energy and environmental applications","authors":"Pooja Dhiman ,&nbsp;Jayati Sharma ,&nbsp;Amit Kumar ,&nbsp;Gaurav Sharma ,&nbsp;Garima Rana ,&nbsp;Genene Tessema Mola","doi":"10.1016/j.mtsust.2024.100973","DOIUrl":"10.1016/j.mtsust.2024.100973","url":null,"abstract":"<div><p>Photocatalysis, an advanced oxidation process, has been widely used in energy and environmental restoration, though its efficiency is limited by the rapid recombination of photon-generated hole-electron pairs. Emerging piezo catalysis, which converts mechanical energy into chemical energy, offers significant potential to enhance photocatalytic performance. Piezo-photocatalysis combines the advantages of both processes, using the piezoelectric effect to generate an internal electric field that improves charge segregation efficiency. This comprehensive review examines the fundamental principles and mechanisms of piezo-photocatalysis and the various synthetic methods used to create piezo-photocatalytic heterojunctions. It also provides an in-depth analysis of the current research progress and status of piezo-photocatalytic heterojunction materials. Highlighting the significant potential of piezo-photocatalysts in wastewater treatment, hydrogen production, CO₂ reduction and N₂ fixation, this review addresses current challenges and future prospects, aiming to guide the development of efficient, advanced, and sustainable piezo-photocatalytic systems for environmental remediation and other applications.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100973"},"PeriodicalIF":7.1,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142158117","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}

{"title":"Electrifying solutions: MOFs and multi-metal nanomaterials for sustainable methanol electro-oxidation and CO2 reduction","authors":"Asim Mahmood ,&nbsp;Khalid Aljohani ,&nbsp;Bassam S. Aljohani ,&nbsp;Areej Bukhari ,&nbsp;Zain Ul Abedin","doi":"10.1016/j.mtsust.2024.100966","DOIUrl":"10.1016/j.mtsust.2024.100966","url":null,"abstract":"<div><p>The global energy crisis and the urgent need to mitigate carbon emissions have spurred intensive research into sustainable energy sources and efficient catalytic systems. This review integrates recent advancements in two key areas: electrocatalytic methanol oxidation and CO₂ reduction to methanol, leveraging metal-organic frameworks (MOFs) and multi-metal nanomaterials. Despite methanol's effectiveness as an energy source, its electro-oxidation requires highly active electrocatalysts. Recent studies have highlighted the superior performance of MOF-based materials, especially when combined with multiple metals, in enhancing the electrocatalytic oxidation of methanol. Downsizing components further boosts MOF activity, while the addition of carbon-containing supports like graphene oxide (GO) and reduced graphene oxide (rGO) improves catalytic capabilities through increased surface area and enhanced dispersion of active materials. Similarly, the electrocatalytic reduction of CO₂ to methanol using MOFs has gained traction due to their simplicity, large surface area, and unique structural properties. This review addresses the challenges of selective and efficient CO₂ electroreduction, proposing avenues to enhance MOF-based electrocatalysts for methanol production. Strategies include the development of novel MOFs with improved conductivity, chemical durability, and catalytic efficiency. Furthermore, exploration of multi-metal nanomaterials, including tri and tetra-metals, holds promise for advancing electrodes tailored for electrochemical methanol oxidation. By synergistically leveraging MOFs and multi-metal nanomaterials, this review underscores their pivotal roles in addressing energy scarcity and climate change while advancing the field of electrocatalysis towards sustainable methanol oxidation.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100966"},"PeriodicalIF":7.1,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589234724003026/pdfft?md5=39a47df8ac944d13067107253e260995&pid=1-s2.0-S2589234724003026-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163269","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}

{"title":"Harnessing Ti3C2-WS2 nanostructures as efficient energy scaffoldings for photocatalytic hydrogen generation","authors":"Amutha Subramani ,&nbsp;Levna Chacko ,&nbsp;Bing Wu ,&nbsp;Vlastimil Mazánek ,&nbsp;Chenrayan Senthil ,&nbsp;Stefanos Mourdikoudis ,&nbsp;Zdeněk Sofer","doi":"10.1016/j.mtsust.2024.100964","DOIUrl":"10.1016/j.mtsust.2024.100964","url":null,"abstract":"<div><p>Two-dimensional (2D) Ti₃C₂ MXene have attracted a lot of attention as frontier materials for the development of effective photocatalysts that can transform solar energy into chemical energy, which is essential for water splitting to produce hydrogen. Here, we use first principle calculations to understand the structural, electronic, and vibrational features of a novel heterostructure comprising a monolayer of tungsten disulfide (WS₂) and titanium carbide (Ti₃C₂) MXene. Our theoretical calculations revealed that the Ti₃C₂ maximizes the interfacial contact area with the WS₂ monolayer creating a strong <em>p</em>–-<em>d</em> hybridization for the WS₂/Ti₃C₂ heterostructure. As a result, a well-constructed Schottky junction is enabled, facilitating an interconnected electron pathway across the interface which is conducive for an efficient photocatalytic performance. Further, the experimentally designed WS₂/Ti₃C₂ heterostructure and its photocatalytic activity based on the synergistic action between MXene and WS₂ is investigated. Optical properties calculated are compared with experimental data derived from UV–Visible spectroscopy. The excellent conductivity and stability along with the light absorption in the visible region of WS₂/Ti₃C₂ enhances the photocatalytic performance approaching photocurrent densities of ∼33 and 120 μA/cm² in the HER and OER region, respectively. Overall, the present research not only improves our understanding of WS₂/Ti₃C₂ heterostructure for an improved photocatalytic activity, but also provides an efficient method toward sustainable hydrogen production.</p></div>","PeriodicalId":18322,"journal":{"name":"Materials Today Sustainability","volume":"28 ","pages":"Article 100964"},"PeriodicalIF":7.1,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589234724003002/pdfft?md5=5402aa1fbec4091d56adb25ff4aaf0cb&pid=1-s2.0-S2589234724003002-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163268","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}