Nanoscale最新文献

{"title":"The Efficacy of Oleic Acid Treatment in Passivating MAPbI3 Films","authors":"Ghada Abdelmageed, Rashad F. Kahwagi, Anthony El-Halaby, Joelle Korkomaz, Adam Leontowich, Sean Hinds, Ghada I. Koleilat","doi":"10.1039/d5nr00325c","DOIUrl":"https://doi.org/10.1039/d5nr00325c","url":null,"abstract":"Reliability, scalability, and excellent film properties with large crystals and low grain boundaries are essential for successfully commercializing perovskites in optoelectronic applications. Our previous reports introduced meniscus-guided blade-coating, referred to as one-step blade coating in the present study, as a promising deposition technique for scalable perovskite films with millimetre-sized crystals, meeting two of the necessary criteria. As a subsequent study, we are investigating the stability of the films in response to humidity by employing a readily accessible hydrophobic molecule, oleic acid (OA), through surface passivation. We compared the competence of the surface treatment on films produced via one-step and two-step deposition methods utilizing spin and blade coating techniques while subjecting them to continuous exposure to high humidity levels. Initially, we applied OA to the films using spin-coating, which is the standard method for surface passivation. Our results prove that the film properties resulting from the deposition technique determine the effectiveness of the passivation process. A quick surface treatment using OA via spin coating can be highly effective for perovskite films with smooth surfaces and smaller grain sizes, in contrast to textured films with larger crystal sizes. By tailoring the surface treatment method from spin coating to dip coating, we demonstrated that OA can prolong the stability of perovskites for months under continuous high-humidity exposure.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"59 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143822421","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":"Predicting biomolecule adsorption on nanomaterials: a hybrid framework of molecular simulations and machine learning","authors":"Ewelina Wyrzykowska, Mateusz Balicki, Iwona Anusiewicz, Ian Rouse, Vladimir Lobaskin, Piotr Skurski, Tomasz Puzyn","doi":"10.1039/d4nr05366d","DOIUrl":"https://doi.org/10.1039/d4nr05366d","url":null,"abstract":"The adsorption of biomolecules on the surface of nanomaterials (NMs) is a critical determinant of their behavior, toxicity, and efficacy in biological systems. Experimental testing of these phenomena is often costly or complicated. Computational approaches, particularly the integrating methods of various theoretical levels, can provide essential insights into nano–bio interactions and bio-corona formation, facilitating the efficient design of nanomaterials for biomedical applications. This study presents a hybrid, meta-modeling approach that integrates physics-based molecular modeling with machine learning algorithms to predict the interaction energy between NMs and biomolecules extracted from the potential of mean force (PMF). Novel descriptors for the surface properties of NMs are developed and combined with structural descriptors of biomolecules to derive quantitative structure–property relationships (QSPRs). The developed QSPR model (training set: <em>R</em><small>²</small> = 0.84, RMSE = 1.52, <em>R</em><small>_cv</small><small>²</small> = 0.83, and RMSE<small>_cv</small> = 1.34; validation set: <em>R</em><small>²</small> = 0.70, RMSE = 1.94, and <em>R</em><small>_cv</small><small>²</small> = 0.72, RMSE<small>_cv</small> = 1.88) helps in understanding and predicting the interactions between NMs (including carbon-based materials, metals, metal oxides, metalloids, and cadmium selenide) and biomolecules (including amino acids and amino acid derivatives). The model facilitates safe and sustainable design of nanomaterials for various applications, particularly for nanomedicine, by providing insight into nano–bio interactions, identification of toxicity risk and optimizing functionalization for safety according to the risk mitigation policy of regulatory authorities. Additionally, a dedicated application has been developed and is available on GitHub, enabling researchers to analyze the surface properties of nanomaterials belonging to the above-mentioned groups of NMs.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"60 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143819386","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":"Quantum dot-based memristors for information processing and artificial intelligence applications","authors":"Dingshu Tian, Chuan Ke, Bai Sun, Haotian Liang, Ziran Qian, Qifan Wen, Xueqi Chen, Chuan Yang, Min Xu, Yong Zhao","doi":"10.1039/d5nr00136f","DOIUrl":"https://doi.org/10.1039/d5nr00136f","url":null,"abstract":"Traditional computing systems struggle to keep pace with the development of artificial intelligence, as well as the development of the economy and continuous innovation in science and technology. Therefore, there is an urgent need for a new generation of powerful yet low-power computing technologies to replace them. Quantum dots have been incorporated into memristors due to their unique electrical properties, and the development of quantum dot memristors is expected to solve the problems faced by traditional memristors, including cycle stability, high energy consumption, and conductivity uniformity. This article reviews the research progress of quantum dot memristors and their simulation applications in artificial synapses. It summarizes some of the current challenges faced in the development of quantum dot memristors and discusses the potential future applications of these memristors in the field of artificial intelligence.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"39 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143819388","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":"Disparity-Amplified Chiral SERS Using PSP-LSP Coupling Substrate","authors":"Chiyi Wei, Yanlong Li, Haijiao Xu, Molei Hao, Tianxi Wang, Weiyuan Huang, Wanlu Cao, Zihao Li, xiaoming wei, Zhongmin Yang","doi":"10.1039/d5nr00088b","DOIUrl":"https://doi.org/10.1039/d5nr00088b","url":null,"abstract":"Chiral recognition plays a vital role in chemical, biological, and pharmaceutical studies. However, differentiating enantiomers is still challenging. This study presents a new approach to enhance the distinction between enantiomers in surface-enhanced Raman scattering (SERS) by leveraging the coupling effect of propagating surface plasmon (PSP) and localized surface plasmons (LSP). We construct a SERS substrate that integrates laser-induced periodic surface structures with chiral plasmonic nanoparticle 432 helicoid III, creating a PSP-LSP coupling mechanism. The results demonstrate that the composite substrate not only enhances the SERS signal but also effectively amplifies the disparity between enantiomers. This advancement paves a new way in chiral SERS substrate design and the research of enantiomeric disparity amplification.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"36 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143813442","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":"High-entropy alloy nanoparticles functionalized with reduced graphene oxide as a high-performance cathode for lithium–oxygen batteries","authors":"Runsheng Wu, Qichen Zhang, Qingchao Yang, Zhengguang Hu, Yong Zhao","doi":"10.1039/d5nr00300h","DOIUrl":"https://doi.org/10.1039/d5nr00300h","url":null,"abstract":"One of the cruxes of developing high-performance lithium–oxygen batteries (LOBs) is the rational design and controllable synthesis of a promising cathode catalyst. High-entropy alloys (HEAs) have been considered as prospective catalytic materials for LOBs due to their adjustable composition and excellent catalytic performance. Herein, ∼50 nm PtFeCoNiCu HEA NPs with uniformly distributed elements embedded on few-layer reduced graphene oxide (PtFeCoNiCu@rGO) were successfully synthesized <em>via</em> a high-temperature annealing route. The LOBs with the PtFeCoNiCu@rGO cathode exhibited a high initial discharge capacity of 13 949 mA h g<small>⁻¹</small>, a low overpotential of 0.77 V, and remarkable cycling stability over 148 cycles with a limited capacity of 500 mA h g<small>⁻¹</small> at 100 mA g<small>⁻¹</small>. The dominant discharge product was Li<small>₂</small>O<small>₂</small>, and no by-products were detected. These excellent electrochemical performances arose from the combined effects of reduced graphene oxide (rGO) and HEA NPs. Reduced graphene oxide, with a large specific surface area and omnipresent pores with diverse size distribution, provided sufficient storage space for Li<small>₂</small>O<small>₂</small> and facilitated transport channels for Li<small>⁺</small> and O<small>₂</small>, while the highly conductive HEA NPs, with optimized catalytic efficiency, further accelerated the kinetics of ORR/OER. This work presents a feasible alternative HEA-based catalyst design strategy for applicable LOBs.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"16 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143813459","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":"Mechanism of methane activation and graphene growth on oxide ceramics","authors":"Hanzhang Zhou, Mengxuan Zhang, Takeharu Yoshii, Devis Di Tommaso, Hirotomo Nishihara","doi":"10.1039/d5nr00569h","DOIUrl":"https://doi.org/10.1039/d5nr00569h","url":null,"abstract":"Three-dimensional (3D) graphene materials have attracted significant attention across various fields, including energy storage and catalysis, due to their exceptional properties such as developed nanoporosity, corrosion resistance, electrical conductivity, and mechanical flexibility. The first step in synthesizing nanoporous 3D graphene involves the generation of the graphene framework through the decomposition of methane at high temperatures on thermally stable oxide ceramics. Thus, a thorough understanding of the reaction mechanism involved in this initial step is crucial. This article reviews recent advancements in elucidating the mechanisms of methane activation and subsequent graphene growth on various types of oxide ceramics, including alumina (Al<small>₂</small>O<small>₃</small>), magnesia (MgO), calcium oxide (CaO), and silica (SiO<small>₂</small>).","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"59 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143813443","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":"Advances in Perovskite-Based Neuromorphic Computing Devices","authors":"Yixin Cao, Yuanxi Li, Ganggui Zhu, Linhui Li, Guohua Lu, Enggee Lim, Wenqing Liu, Yina Liu, Chun Zhao, Zhen Wen","doi":"10.1039/d5nr00335k","DOIUrl":"https://doi.org/10.1039/d5nr00335k","url":null,"abstract":"Neuromorphic computing devices, inspired by the architecture and functionality of the human brain, offer a promising solution to the limitations imposed by the von Neumann bottleneck on contemporary computing systems. Perovskite materials are widely used in the photosensitive layer of neuromorphic computing devices due to their high light absorption coefficient, excellent carrier mobility. Here, we summarise the latest research progress on neural morphology computing devices based on perovskite materials with different structures and summarise different application scenarios. Finally, we discussed the issues that still need to be addressed and looked forward to the future development of neural morphology calculations based on perovskite materials.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"25 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806318","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":"Resonance Raman scattering and anomalous anti-Stokes phenomena in CrSBr","authors":"Satyam Sahu, Charlotte Berrezueta-Palacios, Sabrina Juergensen, Kseniia Mosina, Zdenek Sofer, Matěj Velický, Patryk Kusch, Otakar Frank","doi":"10.1039/d5nr00562k","DOIUrl":"https://doi.org/10.1039/d5nr00562k","url":null,"abstract":"CrSBr, a van der Waals material, stands out as an air-stable magnetic semiconductor with appealing intrinsic properties such as crystalline anisotropy, quasi-1D electronic characteristics, layer-dependent antiferromagnetism, and non-linear optical effects. We investigate the differences between the absorption and emission spectra, focusing on the origin of the emission peak near 1.7 eV observed in the photoluminescence spectrum of CrSBr. Our findings are corroborated by excitation-dependent Raman experiments. Additionally, we explore the anti-Stokes Raman spectra and observe an anomalously high anti-Stokes to Stokes intensity ratio of up to 0.8, which varies significantly with excitation laser power and crystallographic orientation relative to the polarization of the scattered light, highlighting the unique vibrational and electronic interactions in CrSBr. Lastly, we examine stimulated Raman scattering and calculate the Raman gain in CrSBr, which attains a value of 1 × 10<small>⁸</small> cm/GW, nearly four orders of magnitude higher than that of previously studied three-dimensional systems.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"6 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806321","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":"Lateral heterophase electric polar topological superstructures of monolayer SnS: A first-principles computational study","authors":"Bo Xu, Ning Ma, Junkai Deng, Jefferson Zhe Liu","doi":"10.1039/d5nr00145e","DOIUrl":"https://doi.org/10.1039/d5nr00145e","url":null,"abstract":"Ferroelectric topological structures in two-dimensional (2D) materials have emerged as a promising platform for exploring novel topological electronic properties and applications. To date, the reported topological structures have been limited to single-phase 2D materials with spatially varying polarization distributions. Many 2D materials exhibit multiple ferroelectric phases; however, topological structures that combine these phases remain largely unexplored. This is significant because the coexistence of multiple phases plays a fundamental role in the ferroelectric properties of three-dimensional ferroelectrics. In this study, the lateral heterophase superstructures (LHPS) consisting of the α and δ phases of SnS are investigated using the first-principles computational methods. The similar threefold bonding of α and δ phases facilitates the formation of atomically sharp and stable morphotropic phase boundaries (MPB) in one-dimensional (1D) LHPS. The 2D-LHPS with a topological ferroelectric flux-closure can be designed, where the two rectangular and polarized structures (the α and δ phases) are assembled into square superstructures, exhibiting the distinctive nested flux-closure polarization patterns. This work extends the family of ferroelectric topological structures to encompass 2D ferroelectric materials, contributing to the advancement of miniaturized and highly integrated ferroelectric topological electronics.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"108 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806323","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":"Insight into the role of tunable nitrogen vacancies in transition metal nitrides for ammonia synthesis","authors":"shiqi yu, Ziyu Mei, Luyuan Wang, Y. Ren, Wei Wu, Mao Liu, Tianyi Wang, Chuangwei Liu","doi":"10.1039/d5nr00282f","DOIUrl":"https://doi.org/10.1039/d5nr00282f","url":null,"abstract":"Thermally catalyzed nitrogen reduction reaction (NRR) is significant in the fertilizer industry and basic catalytic science. This study employs density-functional theory (DFT) calculations to explore the performance of 12 metal nitrides in thermocatalytic NRR by focusing on them. The surface incompleteness in the actual catalytic environment is simulated by constructing nitrogen vacancies on the metal nitride surfaces, and then the catalytic activity of these surfaces is evaluated in the thermally catalyzed ammonia synthesis process under specific experimental conditions (temperatures of 573, 673, and 773 K, and a pressure of 1 bar), as well as the effect on the activation of N₂ and H₂ molecules. It was found that the NRR performance can be optimized by considering the relationship between the N coordination structure on the catalyst surface and the NRR activity, thus identifying LaN(110)-V(N) and NbN(110) as two highly promising catalysts with outperformed stability and kinetic activity. It is also found that for metal nitride catalysts, the surface with lattice nitrogen as tetra-coordinated possesses better NRR activity with lower reaction energy, and the distal pathway is more favorable for all catalyst surfaces studied. The present results provide new ideas for developing efficient metal nitride catalysts for ammonia synthesis and enrich the basic knowledge of metal nitride-catalyzed NRR.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"2 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806325","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}