Pengfei Wu , Wei Zhang , Wenyong Feng , Changqing Lin , Zedong Lin , Mabao Liu
{"title":"Nanomechanics of 3D graphene networks in high-entropy alloy matrix nanocomposites","authors":"Pengfei Wu , Wei Zhang , Wenyong Feng , Changqing Lin , Zedong Lin , Mabao Liu","doi":"10.1016/j.mtnano.2025.100667","DOIUrl":"10.1016/j.mtnano.2025.100667","url":null,"abstract":"<div><div>In this study, molecular dynamics simulations are carried out to investigate the tensile behavior of GN/CoCrFeMnNi high-entropy alloy (HEA) nanocomposites. By comparing with pure GN and pure CoCrFeMnNi HEA, we unveil a remarkable enhancement in strength and toughness conferred by the three-dimensional graphene network (3D GN). Before the interface separation, 3D GN and the HEA matrix deform in harmony, effectively distributing loads. Post-separation, the continuous and robust 3D GN bears the brunt of the load, alleviating stress concentration through global deformation. The mechanical interlocking between 3D GN and the matrix acts as a formidable barrier to dislocation motion, significantly increasing the material's resistance to deformation. Notably, while pure CoCrFeMnNi HEA fails via matrix fracture, the failure of the composite is dominated by graphene network (GN) breakage. During crack propagation, 3D GN forms a bridge across the crack, reducing stress at the crack tip and enhancing toughness. Additionally, the HEA matrix provides critical support to the GN, reducing its potential energy and stabilizing its structural configuration. The presence of Cr atoms, which form strong chemical bonds with both the matrix and GN, further optimizes load transfer efficiency at the interface, facilitating the effective utilization of GN's exceptional mechanical properties. These molecular dynamics simulation results are validated by experimental findings. These atomic-scale insights into the reinforcement and toughening mechanisms of GN/CoCrFeMnNi HEA nanocomposites hold great promise for the development of advanced structural materials.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100667"},"PeriodicalIF":8.2,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144758064","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}
Congyan Bai , Zhenggang Jia , Xuexi Zhang , Mingfang Qian , Hsu-Sheng Tsai , Lin Geng
{"title":"The crystallinity gradients of MoS2 controlled by glycol to boost redox kinetics for stabilization of sodium-ion batteries","authors":"Congyan Bai , Zhenggang Jia , Xuexi Zhang , Mingfang Qian , Hsu-Sheng Tsai , Lin Geng","doi":"10.1016/j.mtnano.2025.100666","DOIUrl":"10.1016/j.mtnano.2025.100666","url":null,"abstract":"<div><div>Controlling the crystallinity and microstructure of electrode materials is crucial to enhancing the sodium storage performance. Transition metal dichalcogenides, because of their high theoretical capacity, hold great promise for sodium-ion batteries. However, fundamental challenges exist in limited active sites and rapid capacity fading of crystalline transition metal dichalcogenides electrode materials. In this work, the crystallinity and microstructure of the MoS<sub>2</sub>/rGO electrode materials are directly regulated by adjusting the volume of glycol in the solvent. It shows that the MoS<sub>2</sub>/rGO-60 % electrode with balanced crystallinity and microstructure demonstrates remarkable cycling stability (82.2 % after 500 cycles) and outstanding rate performance. Additionally, we investigate the phase transition mechanism of MoS<sub>2</sub>/rGO-60 % during cycling, and the transition from amorphous to crystalline is found. This discovery provides insights into the design of long-life and sustainable sodium-ion batteries.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100666"},"PeriodicalIF":8.2,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144750493","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}
{"title":"Zirconium-based metal-organic frameworks and nanocomposites: Structure-Function correlations in electrochemical applications","authors":"Soumya Ranjan Mishra , Vishwajit Chavda , Saptarshi Roy , Shalu Rawat , Subhasree Panda , Nityananda Sarkar , S.K. Khadheer Pasha , Md Ahmaruzzaman , Bhari Mallanna Nagaraja","doi":"10.1016/j.mtnano.2025.100665","DOIUrl":"10.1016/j.mtnano.2025.100665","url":null,"abstract":"<div><div>Zirconium-based metal-organic frameworks (Zr-MOFs) have emerged as extremely adaptable materials in electrochemical applications due to their outstanding chemical stability, adjustable porosity, and redox-active behavior. This study presents a detailed analysis of Zr-MOF synthesis methodologies, including solvothermal, green synthesis, mechanochemical approaches, and post-synthetic alterations, focusing on structural variety and tailored functionality. The fundamental electrochemical features of Zr-MOFs, such as charge transport, ion diffusion, and electrochemical stability, are thoroughly investigated, as well as strategies for improving performance through nanocomposite creation with conductive materials such as graphene and carbon nanotubes. Zr-MOFs' multifunctionality is further explored through their use in environmental electrochemical sensing to detect harmful contaminants and energy-related technologies such as supercapacitors, batteries, and the hydrogen evolution reaction (HER). Despite their enormous promise, issues such as scalability, low intrinsic conductivity, and long-term operating stability restrict their broad implementation. Future directions include the development of conductive Zr-MOFs, sustainable large-scale production, integration into next-generation flexible electronics, and electrochemical pollutant degradation. By overcoming these problems, Zr-MOFs could be a game-changing platform for developing sustainable energy storage and environmental remediation technologies.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100665"},"PeriodicalIF":8.2,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724779","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}
Rong Zou , Lu-Hao Zhang , Qian-Hua Li , Guo-Juan Xu , Ying-Zhi He , Yuan-Yuan Zhao , Ren-De Ma , Feng Jin , Shi-Tong Xu , Hong-Zhong Cao
{"title":"Femtosecond laser induced hybrid additive/subtractive manufacturing for programmable silver micro/nanostructures","authors":"Rong Zou , Lu-Hao Zhang , Qian-Hua Li , Guo-Juan Xu , Ying-Zhi He , Yuan-Yuan Zhao , Ren-De Ma , Feng Jin , Shi-Tong Xu , Hong-Zhong Cao","doi":"10.1016/j.mtnano.2025.100664","DOIUrl":"10.1016/j.mtnano.2025.100664","url":null,"abstract":"<div><div>Metallic micro/nanostructures have been playing significant roles in functional micro/nanodevices. Here, a hybrid additive and subtractive manufacturing technology of metal micro/nanostructures combining femtosecond laser multiphoton photoreduction with femtosecond laser induced chemical etching is proposed. The additive manufacturing of silver (Ag) wires with high-qualities and erasure of additively manufactured wires were all systematically investigated. An Ag wire with a feature width of 78 nm was achieved by using this hybrid additive and subtractive manufacturing technology. Several micro/nanostructures were also fabricated or amended based on this technology. This technology provides an important method for the fabrication of metal micro/nanostructures with high precisions and performances. At the same time, it also provides a technical scheme for the modification of micro/nano scale electronic circuits or related devices.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100664"},"PeriodicalIF":8.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724778","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}
{"title":"Binder-less MnO2 nanosheets as energy storage electrode for the piezoelectric mediated self-charging electrochemical supercapacitor","authors":"Parthiban Pazhamalai , Vigneshwaran Mohan , Vimal Kumar Mariappan , Rajavarman Swaminathan , Sang-Jae Kim","doi":"10.1016/j.mtnano.2025.100659","DOIUrl":"10.1016/j.mtnano.2025.100659","url":null,"abstract":"<div><div>Integrated energy systems are of great interest as it couples the both the energy harnessing and storage onto a single sustainable component for the practical IoT applications. In this work, we demonstrated the integration of energy storage and harnessing in a single component system which can be charged via bio-mechanical force. The integrated self-charging supercapacitor (ISCS) is fabricated with the aid of electrochemically deposited MnO<sub>2</sub> and ionogelled electrospun PVDF nanofibrous mat as piezoelectric separator. The self-charging characteristics of the MnO<sub>2</sub>/CC ISCS is studied under various applied force with the highest charging voltage of 490 mV. The self-charging mechanism of the MnO<sub>2</sub>/CC ISCS is explained via piezoelectrochemical phenomenon. This study highlights the usage of binder free electrode for the self-charging supercapacitor which will enhance the energy conversion and storage process over the binder-based devices. Overall, the results provide a new insight in fabrication of binder free electrodes, which might lead to enhanced performance considering the state of the art of self-charging supercapacitors.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100659"},"PeriodicalIF":8.2,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704735","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}
Hoang-Giang Nguyen , Sheng-Joue Young , Thanh-Dung Le , Symeon Chatzinotas , Te-Hua Fang
{"title":"Deformation mechanisms of AlCoCrCuFeNi: A molecular dynamics and machine learning approach","authors":"Hoang-Giang Nguyen , Sheng-Joue Young , Thanh-Dung Le , Symeon Chatzinotas , Te-Hua Fang","doi":"10.1016/j.mtnano.2025.100662","DOIUrl":"10.1016/j.mtnano.2025.100662","url":null,"abstract":"<div><div>High-entropy alloys (HEAs) distinguish themselves from other multi-component alloys through their unique nanostructures and mechanical properties. This study employs molecular dynamics (MD) simulations and machine learning to investigate the deformation mechanisms of AlCoCuCrFeNi HEA under varying temperatures, strain rates, and average grain sizes. The modeling results show that interactions between partial dislocations in AlCoCrCuFeNi HEA during tension and compression deformation cause various lattice disorders. The effect of temperature, strain rates, and grain boundaries on lattice disorder, plastic deformation behavior, dislocation density, and von-Mises stress (VMS) is disclosed. This study offers new insights into the atomic-scale deformation mechanisms governing the mechanical behavior of AlCoCrCuFeNi HEAs. It also presents a comprehensive workflow for predicting the mechanical properties of this HEA using machine learning models. The proposed approach provides several advantages, including significantly reduced simulation time and robust model validation. By employing the machine learning model trained in Stage 1, the time needed to simulate mechanical properties in Stage 2 is significantly decreased. Additionally, the framework ensures that the machine learning model effectively captures and understands the underlying representations of the mechanical properties of HEAs, thereby enhancing both the efficiency and accuracy of the predictions.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100662"},"PeriodicalIF":8.2,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144697042","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}
Yong-Shan Hu , Shi-Jing Yu , Shi-Cheng Tian , Cheng-Lei Li , Jiang-Wen Shen , Jing-Wei Shao
{"title":"A cascade nanoreactor with ROS storms activation for amplified multimodal synergistic cancer therapy","authors":"Yong-Shan Hu , Shi-Jing Yu , Shi-Cheng Tian , Cheng-Lei Li , Jiang-Wen Shen , Jing-Wei Shao","doi":"10.1016/j.mtnano.2025.100663","DOIUrl":"10.1016/j.mtnano.2025.100663","url":null,"abstract":"<div><div>The complexity, variability, and heterogeneity of the tumor microenvironment make it impossible for monotherapy to achieve the desired therapeutic effect. The utilization of nanoreactor-based multimodal synergistic therapy represents a highly promising approach. Consequently, we utilized metal coordination-constructed metal-phenolic networks (MPNs) to encapsulate glucose oxidase (GOx), which then co-assembled with indocyanine green (ICG), ultimately forming a cascade nanoreactor (GOx@TF-ICG NPs) that exhibits a multimodal synergistic therapeutic effect. As a simple and efficient nanoreactor, it initiates a cascade reaction by GOx and achieves multimodal synergistic anti-tumor. After entering the tumor microenvironment, the nanoreactor catalyzes glucose to produce hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>), initiating a cascade that triggers a reactive oxygen species (ROS) storm, enhancing chemodynamic therapy (CDT) and photodynamic therapy (PDT), ultimately inducing ferroptosis. The photothermal effect directly initiated by the coordination structure of MPNs and ICG, together with the down-regulation of heat shock proteins, jointly strengthens the photothermal therapy (PTT) effect. The experimental results show that the nanoreactor can also induce tumor cell apoptosis by decreasing the mitochondrial membrane potential. Therefore, the nanoreactor integrates starvation therapy (ST)/PDT/PTT/ferroptosis and has a significant anti-tumor effect. This strategy provides ideas and theoretical guidance for combination therapy in improving the clinical treatment effect of tumors.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100663"},"PeriodicalIF":8.2,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704734","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}
{"title":"Accelerated identification of microstructure and phase stability in nanostructured refractory medium entropy alloys by combinatorial libraries","authors":"Changjun Cheng , Renfei Feng , Tianyi Lyu , Yu Zou","doi":"10.1016/j.mtnano.2025.100660","DOIUrl":"10.1016/j.mtnano.2025.100660","url":null,"abstract":"<div><div>The stability of nanostructured materials is vital for their applications, particularly at elevated temperatures. The complexity of many emerging multiple-component alloys, such as medium-entropy alloys (MEAs) and high-entropy alloys (HEAs), poses new challenges to identifying stable nanostructured alloys from vast composition and temperature spaces. Here, we have systematically studied three nanostructured MEA systems, (TiZr)<sub>x</sub>Ta<sub>1−x</sub>, (TiZr)<sub>x</sub>Nb<sub>1−x</sub>, and (TiZr)<sub>x</sub>(NbTa)<sub>1−x</sub>, from room temperature to 400 °C, through combinatorial synthesis, annealing, and characterization. Unlike (TiZr)<sub>x</sub>Nb<sub>1−x</sub> and (TiZr)<sub>x</sub>(NbTa)<sub>1−x</sub> exhibiting crystalline body-centered cubic (bcc) phase, the (TiZr)<sub>x</sub>Ta<sub>1−x</sub> library shows anomalous phase formation: metastable face-centered cubic (fcc) structure in the Ta-rich region, while a nanocomposite consisting of bcc nano-grains and amorphous matrix in the TiZr-rich region. Upon annealing, high-resolution TEM images determine that such fcc and nanocomposite structures transform into a fully crystalline bcc phase. This study identifies the individual and synergistic effects of Nb and Ta on the microstructure and phase stability of the MEAs, paving the way for the accelerated discovery of complex nanostructured alloys and the identification of their stability in large composition and temperature dimensions.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100660"},"PeriodicalIF":8.2,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144685678","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}
{"title":"Self-assembly of iron oxide nanoparticles for microvascular magnetic resonance imaging","authors":"Raghav Soni , Xin Tian , Atsushi Mahara","doi":"10.1016/j.mtnano.2025.100661","DOIUrl":"10.1016/j.mtnano.2025.100661","url":null,"abstract":"<div><div>Iron-oxide nanoparticles (IONPs) are clinically used as stable contrast agents for magnetic resonance imaging. However, their application in microvascular imaging is limited because of their rapid diffusion across soft tissues and high accumulation in the liver. In this study, we present a self-assembled IONPs based contrast agent for cerebrovascular imaging. The IONPs were modified with fluorescein-conjugated 4-arm polyethylene glycol to prepare 4P-F-IONPs. Light-scattering analysis revealed that 4P-F-IONPs formed nanorod-like structures through self-assembly via fluorescein conjugation. Pharmacokinetic studies indicated longer blood circulation and reduced organ diffusion for the self-assembled nanorod contrast agent compared with pristine IONPs. Furthermore, microvasculature as small as 400 μm in diameter was clearly visualized after intravenous injection in a rat model. In contrast, the signals were not enhanced when 4P-IONPs (without fluorescein conjugation) were injected. These results suggest that fluorescein conjugation induces a structural transition in IONPs, which reduces contrast diffusion across micro-vessels and enhances the MR signals in the microvasculature.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100661"},"PeriodicalIF":8.2,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144685664","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}
Pengyuan Yin , Yanzhi He , Yuyue Xiong , Xianyun Bi , Wenrong Yang , Wei Tan , Shaoqing Li , Lesan Yan
{"title":"A novel “off-on” fluorescence probe based on the discarded cigarette butts-based carbon quantum dots and silver nanoparticles for iodide ions detection","authors":"Pengyuan Yin , Yanzhi He , Yuyue Xiong , Xianyun Bi , Wenrong Yang , Wei Tan , Shaoqing Li , Lesan Yan","doi":"10.1016/j.mtnano.2025.100657","DOIUrl":"10.1016/j.mtnano.2025.100657","url":null,"abstract":"<div><div>Discarded cigarette butts, a form of waste often left behind, pose a serious environmental threat. Therefore, recycling these cigarette butts is essential for reducing environmental pollution and supporting a circular economy. This study presents, for the first time, a novel approach to producing nicotine-based carbon quantum dots (NIC-CQDs) from discarded cigarette butts. These NIC-CQDs, combined with silver nanoparticles (AgNPs), were used to construct a novel “off-on” fluorescent probe for the highly sensitive detection of iodide ions (I<sup>−</sup>). Experimental results demonstrated that the obtained NIC-CQDs exhibited stable and intense blue luminescence, with a maximum emission wavelength (λ<sub>em</sub>) of 472 nm and a maximum excitation wavelength (λ<sub>ex</sub>) of 366 nm. Through the inner filter effect (IFE), AgNPs effectively quench the fluorescence of NIC-CQDs, while the presence of trace amounts of I<sup>−</sup> reverses this quenching phenomenon. Based on this phenomenon, a novel off-on fluorescent probe (NIC-CQDs-AgNPs) was designed to detect trace I<sup>−</sup> in aqueous solution using the obtained NIC-CQDs and AgNPs. Under optimal conditions, the NIC-CQDs-AgNPs probe demonstrated a linear detection range for I<sup>−</sup> from 0.1 to 90 μM (R<sup>2</sup> = 0.993) with a detection limit as low as 32 nM. The probe was successfully utilized for monitoring I<sup>−</sup> in real water samples with recoveries of 94.28–104.28 % (RSD <4.81 %), which indicated that the fluorescent probe has enormous application potential to detect trace I<sup>−</sup> in environmental water samples.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100657"},"PeriodicalIF":8.2,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144685663","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}