Materials Today Communications最新文献_第3页

Efficient adsorptive removal of methyl green using Fe3O4/sawdust/MWCNT: Explaining sigmoidal behavior 使用 Fe3O4/锯末/MWCNT 高效吸附去除甲基绿：解释西格玛行为

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-10 DOI: 10.1016/j.mtcomm.2024.110302

Ismail Badran, Maan Omar Al-Ejli

{"title":"Efficient adsorptive removal of methyl green using Fe3O4/sawdust/MWCNT: Explaining sigmoidal behavior","authors":"Ismail Badran, Maan Omar Al-Ejli","doi":"10.1016/j.mtcomm.2024.110302","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110302","url":null,"abstract":"The 4R concept (reduce, reuse, recycle and repurpose) in water management necessitates innovative adsorption techniques that utilize sustainable and natural materials. This study investigates the use of natural sawdust embedded in magnetic iron oxide to treat wastewater. The performance of the newly synthesized FeO/sawdust adsorbent was also compared to the native FeO and FeO/MWCNT. Methyl Green (MG) was used as a model pollutant due to its wide use and potential toxicity. The new adsorbents demonstrated a high removal efficiency that exceeds 97 % under ambient conditions. The study investigates the effect of pH on adsorption, revealing a significant shift in removal efficiency as pH increases, with an optimal pH of around 7. The pH dependence is explained based on the point-of-zero-charge of the FeO adsorbent and the structure of the dye. The thermodynamic parameters (Δ°, Δ°, and Δ°) of adsorption were determined through a temperature study. The adsorption equilibrium was found to be endothermic, therefore preferring elevated temperatures. Because the adsorption data of the study exhibited S-shaped-like curves, sigmoidal models were used to describe the adsorption isotherms. This provided new insights into the competitive adsorption mechanisms acting on the heterogeneous FeO/sawdust surfaces. The kinetics study indicates rapid and efficient adsorption with pseudo-second-order reaction. The half-life of the reaction was as low as 4.8 min. The findings suggest a rapid, highly efficient and sustainable method to remove organic pollutants from wastewater.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"105 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268278","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}

引用次数: 0

Insights into Na ion adsorption and diffusion in biphenylene as an anode material for sodium-ion batteries: A first-principles study 钠离子在作为钠离子电池负极材料的联苯中的吸附和扩散透视：第一原理研究

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-10 DOI: 10.1016/j.mtcomm.2024.110394

Yongyi Xu, Yingying Fu, Xiaxia Gong, Jing Xu, Wei Liu

{"title":"Insights into Na ion adsorption and diffusion in biphenylene as an anode material for sodium-ion batteries: A first-principles study","authors":"Yongyi Xu, Yingying Fu, Xiaxia Gong, Jing Xu, Wei Liu","doi":"10.1016/j.mtcomm.2024.110394","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110394","url":null,"abstract":"Anode materials are essential for the advancement of sodium-ion batteries (NIBs). This study comprehensively evaluates the biphenylene network (BP) as a promising anode material using first-principles calculations. Density functional theory (DFT) results reveal that sodium (Na) ions stably adsorb on BP surfaces, with adsorption energies ranging from −1.29 eV to −2.92 eV, due to effective charge transfer and hybridization between Na () and carbon () orbitals. The diffusion barriers for Na ion migration are 0.31 eV for the monolayer and 0.76 eV for the bilayer, with optimal paths involving the C8-ring and passing through C6- or C4-rings. Notably, edge sites were found to provide strong Na adsorption on monolayer BP nanoribbon, with low diffusion barriers (0.36 eV), revealing the critical role of edge configurations in enhancing the BP performance as an anode material. The theoretical capacity of Na on the BP monolayer is 908.52 mAh·g⁻¹, surpassing many other two-dimensional materials, and the average open circuit voltage (OCV) is 0.64 V. Overall, BP offers high Na storage capacity, low diffusion barriers, and suitable OCV, positioning it as a strong candidate for high-performance NIB anodes.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"33 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268273","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}

引用次数: 0

Effect of Mo interlayer on the diffusion behavior and mechanical property of Cr-coated Zr alloy cladding tubes 钼中间膜对铬包覆 Zr 合金包覆管的扩散行为和机械性能的影响

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-10 DOI: 10.1016/j.mtcomm.2024.110393

Yuxin Zhong, Shixin Gao, Sha Zhao, Xiangyu Gui, Lihong Zhai, Moyijie Huang, Ping Chen, Chunyu Yin, Liang He, Jijun Yang, Kun Zhang

引用次数: 0

Facile strategy of Fe3+ rich collagen-based composite hydrogel for antibacterial, electricity harvesting and sensing applications 富含 Fe3+ 的胶原基复合水凝胶在抗菌、电力采集和传感应用中的简便策略

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-10 DOI: 10.1016/j.mtcomm.2024.110391

Md. Ashraful Alam, Akash Debnath, Khandoker Tahmina Tasnim, Shashanka Shekhar Sarker, Md. Tushar Uddin, Sarker Kamruzzaman, Ilnaz Fargul Chowdhury, Md. Tanzil Ahamed Shawon, Zuwu Tang, Ajoy Kanti Mondal

{"title":"Facile strategy of Fe3+ rich collagen-based composite hydrogel for antibacterial, electricity harvesting and sensing applications","authors":"Md. Ashraful Alam, Akash Debnath, Khandoker Tahmina Tasnim, Shashanka Shekhar Sarker, Md. Tushar Uddin, Sarker Kamruzzaman, Ilnaz Fargul Chowdhury, Md. Tanzil Ahamed Shawon, Zuwu Tang, Ajoy Kanti Mondal","doi":"10.1016/j.mtcomm.2024.110391","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110391","url":null,"abstract":"Conventional have poor and limiting their practical applications for different purposes. Herein, collagen (CL) based, poly(vinyl alcohol) (PVA) and glutaraldehyde (GT) cross-linked ferric ion (Fe) rich highly conductive CL/GT/PVA/Fe hydrogel was developed. The presence of high CL, PVA and Fe ions, together with the effective Fe complexes formation, delivers the hydrogel with some particular assigns, such as high ionic conductivity (3.44 S.m) and antibacterial activity; furthermore, a very high stretchability. The CL/GT/PVA/Fe hydrogel demonstrated excellent mechanical properties, where the highest tensile strength of the hydrogels was ∼204.5 kPa at an elongation of 674 %, and the highest compressive strength was ∼0.39 MPa, with the highest stretchability of 81.67 %. The strengths are enhanced significantly by the incorporation of Fe ions because of the formation of effective complexation of Fe with rich hydroxyl and carboxyl groups of PVA and CL. As a flexible strain sensor, the CL/GT/PVA/Fe hydrogel with excellent conductivity manifests high sensitivity in human motion monitor. The hydrogels’ sufficient –OH and –COOH groups play a key role in imparting moist-induce electricity supply and the highest 173 mV of open circuit voltage (V) generated during moisture spray.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"10 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268272","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}

引用次数: 0

Study on microstructure and properties between alloy steel and powder steel via hot isostatic pressing diffusion bonding 通过热等静压扩散粘接研究合金钢与粉末钢之间的微观结构和性能

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-10 DOI: 10.1016/j.mtcomm.2024.110390

Lei Gao, ChunGuo Xu, XueYuan Ge, QiPeng Hu, XiangLong Wang, Yuan Meng, ShiTeng Lu, Bo Liu

引用次数: 0

Neural network interatomic potential-driven analysis of phase stability in Ti–V alloys at the atomistic scale 原子尺度上钛-V 合金相稳定性的神经网络原子间势驱动分析

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-10 DOI: 10.1016/j.mtcomm.2024.110332

Mashroor S. Nitol, Doyl E. Dickel, Saryu J. Fensin

{"title":"Neural network interatomic potential-driven analysis of phase stability in Ti–V alloys at the atomistic scale","authors":"Mashroor S. Nitol, Doyl E. Dickel, Saryu J. Fensin","doi":"10.1016/j.mtcomm.2024.110332","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110332","url":null,"abstract":"The evolution of the phase in titanium–vanadium (Ti–V) alloys is critical for their mechanical properties, particularly in aerospace and biomedical applications. This study employs a Rapid Artificial Neural Network (RANN) potential to model the phase evolution at the atomistic level, demonstrating a high degree of consistency with experimental observations, unlike the Modified Embedded Atom Method (MEAM), which fails to capture this phase transformation accurately. RANN simulations replicate key phenomena such as the nucleation of precipitates at interfaces and accurate lattice orientations, enhancing our understanding of phase stability and transformation kinetics. The findings affirm that RANN potentials can significantly improve the prediction accuracy of complex material behaviors, offering a powerful tool for designing advanced materials with tailored properties such as solute effect in various stacking fault energies. This approach not only bridges the gap between theoretical predictions and empirical data but also sets a new direction for future research in materials science, emphasizing the integration of machine learning techniques in the development and optimization of new alloys.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"4 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268399","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}

引用次数: 0

3, 4-Bis (3-nitrofurazan-4-yl) furoxan (DNTF) and 4-methoxy-1-methyl-3, 5-dinitro-1 H-pyrazole (DMDNP) based molten carrier with high energy and low sensitivity: Eutectic design and desensitization effect 基于 3，4-双（3-硝基呋喃-4-基）呋喃并（DNTF）和 4-甲氧基-1-甲基-3，5-二硝基-1 H-吡唑（DMDNP）的熔融载体具有高能量和低灵敏度：共晶设计与脱敏效果

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-09 DOI: 10.1016/j.mtcomm.2024.110383

Chun Xiao, You Ran, Lei Yang, Baohui Zheng, Chuan Huang, Qing Ma, Jinshan Li

{"title":"3, 4-Bis (3-nitrofurazan-4-yl) furoxan (DNTF) and 4-methoxy-1-methyl-3, 5-dinitro-1 H-pyrazole (DMDNP) based molten carrier with high energy and low sensitivity: Eutectic design and desensitization effect","authors":"Chun Xiao, You Ran, Lei Yang, Baohui Zheng, Chuan Huang, Qing Ma, Jinshan Li","doi":"10.1016/j.mtcomm.2024.110383","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110383","url":null,"abstract":"Utilizing insensitive explosives to form a eutectic with 3, 4-bis (3-nitrofurazan-4-yl) furoxan (DNTF) proved to be an effective method for reducing its sensitivity and melting point. In this study, the interaction between DNTF and 4-methoxy-1-methyl-3, 5-dinitro-1 H-pyrazole (DMDNP) was simulated using the interaction region indicator (IRI), revealing that the intermolecular forces in the mixture are stronger than those of the individual components. Co-molten mixtures of DNTF-DMDNP with varying compositions were prepared through electrostatic spraying technology, and a binary phase diagram was established using differential scanning calorimetry (DSC). The experimentally extrapolated molar ratio of the DNTF-DMDNP eutectic was determined to be 48.7/51.3, with a eutectic point at approximately 338.2 K. Fourier transform infrared spectroscopy FT-IR) and X-ray diffraction (XRD) tests confirmed that no chemical reactions or crystal transformations occurred during the preparation of the eutectic. The thermal decomposition temperatures at different heating rates and apparent activation energy of the eutectic fell within the range between those of DNTF and DMDNP. Addition of even just 10 % DMDNP significantly reduced mechanical sensitivity in co-molten mixtures, resulting in a rapid decrease from 100 % to 12 % friction sensitivity. The detonation velocity of the DNTF-DMDNP eutectic measured at 8.47 km s only experienced a slight decrease by about 0.78 km s (8.4 %) compared to pure DNTF, indicating efficient desensitization by incorporating DMDNP with minimal energy loss potentiality. Furthermore, adjusting composition allowed for control over detonation performance and sensitivity in melt-cast explosives composed of DNTF-DMDNP.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"47 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142269736","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}

引用次数: 0

Characterization of polycrystalline bulk ferroelectric ZnSnS3 synthesized by hydrothermal method for photovoltaic application 水热法合成的用于光伏应用的多晶块状铁电体 ZnSnS3 的特性分析

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-08 DOI: 10.1016/j.mtcomm.2024.110387

Md. Mohsin, J. Sharma, G. Ghorai, P.K. Sahoo, S. Bhunia, A. Nayak

{"title":"Characterization of polycrystalline bulk ferroelectric ZnSnS3 synthesized by hydrothermal method for photovoltaic application","authors":"Md. Mohsin, J. Sharma, G. Ghorai, P.K. Sahoo, S. Bhunia, A. Nayak","doi":"10.1016/j.mtcomm.2024.110387","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110387","url":null,"abstract":"ZnSnS, a newly theoretically predicted ferroelectric material which shows promising properties for solar cell and photovoltaic applications, was successfully grown in our laboratory by hydrothermal method. The high intensity x-ray diffraction pattern from the (211), (10), (200), (210), (310), (320), and (32) planes reveal the crystalline character of the trigonal ZnSnS phase. The microstructural property and elemental distribution were evaluated using SEM and TEM studies. Diffuse reflectance measurement at room temperature shows a direct bandgap of 2.62 eV along with a high energy direct transition of 3.13 eV. Two broad photoluminescence peaks at various temperatures (4–300 K) were also detected around (2.61–2.73 eV) and (3.04–3.11 eV). The emission characteristics are explained considering the shallow donor level to valence band transitions. Raman study elucidates that the synthesized ZnSnS possess a good number of Raman active bands. A phase transition from the ferroelectric to non-ferroelectric phase of ZnSnS is observed around 330 °C in DSC and dielectric measurements. The P-E measurement showed that the material is ferroelectric in nature with saturation polarization value of 21.85. The current-voltage characteristics showgood photovoltaic response of the fabricated Ni/ZnSnS/Ni device in the visible range indicating its application in PV devices and photodetector.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"33 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268279","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}

引用次数: 0

Finite element simulation of the effect of particle shape and thermal residual stress on the tensile properties of NbCp/Fe composites 颗粒形状和热残余应力对 NbCp/Fe 复合材料拉伸性能影响的有限元模拟

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-08 DOI: 10.1016/j.mtcomm.2024.110381

Nana Zhao, Zhitao Zhang, Congcong Ren, Zhen Cui, Fangxia Ye

引用次数: 0

Investigating microstructure dynamics and strain rate sensitivity in gradient nanostructured AISI 304 L stainless steel: TEM and nanoindentation insights 研究梯度纳米结构 AISI 304 L 不锈钢的微观结构动态和应变速率敏感性：TEM 和纳米压痕技术的启示

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-08 DOI: 10.1016/j.mtcomm.2024.110386

Digvijay Singh, Vikesh Kumar, Vickey Nandal, Santosh S. Hosmani

{"title":"Investigating microstructure dynamics and strain rate sensitivity in gradient nanostructured AISI 304 L stainless steel: TEM and nanoindentation insights","authors":"Digvijay Singh, Vikesh Kumar, Vickey Nandal, Santosh S. Hosmani","doi":"10.1016/j.mtcomm.2024.110386","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110386","url":null,"abstract":"In recent years, gradient nanostructured (GNS) materials have gained significant attention due to their superior strength-ductility balance and enhanced functional properties compared to their coarse-grained counterparts. This research examines the microstructure evolution and nanomechanical responses of GNS AISI 304 L austenitic stainless steel using transmission electron microscopy (TEM) and nanoindentation techniques. Through surface mechanical attrition treatment (SMAT), a gradient nanostructured layer with ultrafine grains (∼15 nm) and nanoscale martensite (up to ∼40 %) within the austenite matrix has been successfully created on the steel’s surface. This treated surface exhibits a hardness of ∼6.7 GPa, nearly double the original value. The GNS layer demonstrates single-step (γ → α’) and two-step (γ → ε → α’) martensitic transformations, deformation twinning (γ -twin), a decrease in the density of deformation bands, compressive residual stress, lattice strain, and martensite content, along with an increase in grain size. Strain rate sensitivity (SRS) increases with austenitic grain size and inversely correlates with martensite proportion as depth increases in the GNS layer. A significant amount of ultrafine martensite is primarily responsible for the limited SRS in the topmost layer.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"21 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268402","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}

引用次数: 0