Scripta MaterialiaPub Date : 2025-07-03DOI: 10.1016/j.scriptamat.2025.116853
Xin-Yao Li , Ya-Fang Guo , Xiao-Zhi Tang , Jian Wang
{"title":"〈a〉 screw dislocation triggered {101¯1} twinning in magnesium","authors":"Xin-Yao Li , Ya-Fang Guo , Xiao-Zhi Tang , Jian Wang","doi":"10.1016/j.scriptamat.2025.116853","DOIUrl":"10.1016/j.scriptamat.2025.116853","url":null,"abstract":"<div><div>Twin nucleation in hexagonal metals is generally described by successive nucleation and gliding of twinning dislocations/disconnections (TDs). Unusual nucleation mechanisms, such as pure-shuffle mechanism for <span><math><mrow><mo>{</mo><mn>10</mn><mover><mrow><mn>1</mn></mrow><mo>‾</mo></mover><mn>2</mn><mo>}</mo></mrow></math></span> twins and kinking mechanism for <span><math><mrow><mo>{</mo><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>1</mn></mrow><mo>}</mo></mrow></math></span> twins, had been proposed based on experimental observations and atomistic simulations. Here, we reported screw dislocation enabled <span><math><mrow><mo>{</mo><mrow><mn>10</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>1</mn></mrow><mo>}</mo></mrow></math></span> twinning mechanisms in magnesium based on atomistic simulations. A <span><math><mrow><mo>〈</mo><mi>a</mi><mo>〉</mo></mrow></math></span> screw dislocation can have a planar spread core on basal plane or develop into a <span><math><mrow><mo>{</mo><mrow><mn>10</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>1</mn></mrow><mo>}</mo></mrow></math></span> twin embryo via a cross-slip mechanism. The cross-slip enabled <span><math><mrow><mo>{</mo><mrow><mn>10</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>1</mn></mrow><mo>}</mo></mrow></math></span> twinning mechanism is favored when the basal slip is constrained or suppressed at a high strain condition. This mechanism addresses the experimental puzzle of the <span><math><mrow><mo>{</mo><mrow><mn>10</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>1</mn></mrow><mo>}</mo></mrow></math></span> twin absence under <em>c</em>-axis compression.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116853"},"PeriodicalIF":5.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144536017","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}
Xinyue Zhang, Haibing Zhang, Zhimin Jiang, Z. L. Li, Minjie Shi, Edison Huixiang Ang, Jun Yang
{"title":"Achieving Superior Anti-Corrosion Performance with Spherical Organic Additives and Synergistic Barrier-Passivation Mechanisms","authors":"Xinyue Zhang, Haibing Zhang, Zhimin Jiang, Z. L. Li, Minjie Shi, Edison Huixiang Ang, Jun Yang","doi":"10.1039/d5ta01862e","DOIUrl":"https://doi.org/10.1039/d5ta01862e","url":null,"abstract":"Developing effective additive materials for high-performance anti-corrosion coatings remains a significant challenge. While organic materials are increasingly recognized for their inherent properties, versatility, and ease of processing, their use as filler additives for corrosion protection is still in the early stages. In this study, we present a novel spherical organic material, termed NTAB, which exhibits enhanced electrochemical activity, superior molecular stability, and optimized electronic properties. NTAB is synthesized through a simple condensation reaction. The resulting NTAB organics serve as active fillers in epoxy resin (EP), forming an anti-corrosion NTAB/EP coating. This coating demonstrates outstanding anti-corrosion performance, with an exceptionally low corrosion rate of 9.9×10⁻⁶ mm·a⁻¹ and a corrosion inhibition efficiency of 99.70%. Notably, the NTAB/EP coating achieves an impressive |Z|₀.₀₁Hz value of 8.94×10⁹ Ω·cm² after an extended immersion period of 154 days in a 3.5wt% NaCl solution, significantly outperforming previously reported anti-corrosion coatings. Real-world evaluations in seawater environments further confirm the coating’s durability, with no visible corrosion even near scratches. This remarkable longevity is attributed to the synergistic effects of the NTAB organics, combining efficient physical barrier properties with chemical passivation, offering valuable insights for the development of anti-corrosion coatings in harsh environments.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"1 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547252","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}
JoulePub Date : 2025-07-03DOI: 10.1016/j.joule.2025.102030
Yankun Du, Bingqing Yao, Liang Xu, Shangchen Lu, Chaokai Xu, Peijie Han, Sheng Dai, Sikai Wang, Shibo Xi, Boon Siong Neo, Ning Yan, Qian He
{"title":"Single-atom catalysts enabled catalytic ammonia combustion at 1,100°C","authors":"Yankun Du, Bingqing Yao, Liang Xu, Shangchen Lu, Chaokai Xu, Peijie Han, Sheng Dai, Sikai Wang, Shibo Xi, Boon Siong Neo, Ning Yan, Qian He","doi":"10.1016/j.joule.2025.102030","DOIUrl":"https://doi.org/10.1016/j.joule.2025.102030","url":null,"abstract":"Green ammonia (NH<sub>3</sub>) is a promising renewable fuel but suffers from having poor combustion characteristics. High-temperature catalytic NH<sub>3</sub> combustion (HT-CAC) provides an attractive solution to improve the combustibility of NH<sub>3</sub> and allows high-quality heat to be extracted with reduced harmful emissions. Achieving HT-CAC is a difficult task due to (1) demanding stability requirements of catalysts and (2) potentially high NO<sub>x</sub> emissions. Here, we report that atomically dispersed platinum (Pt) on 10% zirconium dioxide (ZrO<sub>2</sub>)-aluminum oxide (Al<sub>2</sub>O<sub>3</sub>) can facilitate the HT-CAC process. The catalyst ignites NH<sub>3</sub> combustion just above 200°C and has excellent stability when operated at 1,100°C. The presence of the catalyst also reduces the NO<sub>x</sub> emissions to around 50 ppm without detectable NH<sub>3</sub> slip. This work shows that combining single-atom catalysts with refractory support materials is an effective strategy for designing catalysts for HT-CAC, which will in turn help to decarbonize many “hard-to-abate” sectors, such as industrial heating.","PeriodicalId":343,"journal":{"name":"Joule","volume":"20 1","pages":""},"PeriodicalIF":39.8,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
NanoscalePub Date : 2025-07-03DOI: 10.1039/d5nr01435b
Emilia Tomm, Guido Grundmeier, Adrian Keller
{"title":"Cost-efficient folding of functionalized DNA origami nanostructures via staple recycling","authors":"Emilia Tomm, Guido Grundmeier, Adrian Keller","doi":"10.1039/d5nr01435b","DOIUrl":"https://doi.org/10.1039/d5nr01435b","url":null,"abstract":"DNA origami nanostructures are powerful molecular tools for the controlled arrangement of functional molecules and thus have important applications in biomedicine, sensing, and materials science. The fabrication of DNA origami nanostructures commonly requires a high excess of staple strands, leading to material waste and high costs, especially when large numbers of modified staples are to be incorporated. Here, we present a method for recycling non-modified as well as biotinylated and fluorophore-modified excess staple strands using molecular weight cut-off (MWCO) ultrafiltration and reusing them in subsequent folding reactions. The structural integrity of the folded DNA origami nanostructures as well as the incorporation and functionality of the introduced modifications are maintained over at least five folding cycles. The resulting reduction in staple costs due to staple recycling reaches 33 % over five folding cycles, with a theoretical maximum of 41 % for large numbers of cycles. This cost-effective and sustainable approach is straightforward to implement in any given DNA origami fabrication pipeline and particularly attractive for applications requiring large numbers of expensive modifications where substantial reductions in absolute costs can be achieved in this way.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"132 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547399","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":"Effectively Modulating Hydrophobicity and Surface Nanobubble Distribution on Graphene through Uniaxial Compressive Strain","authors":"Hui Qi, Zhe Wang, Jing Guo, Guohui Wu, Siliang Yue, Zhiyu Fan, Chenliang li","doi":"10.1039/d5nr01823d","DOIUrl":"https://doi.org/10.1039/d5nr01823d","url":null,"abstract":"Graphene, owing to its intrinsically superhydrophobic nature, has been widely regarded as an ideal material for constructing highly stable nanobubble interfaces. However, the regulation of its hydrophobicity has long been constrained by irreversible atomic-scale structural damage and the complexity of fabrication processes. To address this challenge, we propose an innovative in-plane strain-driven strategy to modulate the hydrophobicity of graphene. Through molecular dynamics simulations, we systematically unveil the atomic-scale mechanisms governing the evolution of graphene's hydrophobicity under uniaxial compression. The study shows that uniaxial strain significantly enhances the polarization response of the graphene surface, thereby inducing a transition in its wettability from hydrophobic to hydrophilic. Based on these results, we further design a substrate structure with alternating hydrophobic and hydrophilic regions, allowing for precise control over the spatial distribution of surface gas-phase structures. Although current experimental techniques remain limited in applying such high levels of in-plane strain to monolayer graphene, this study aims to provide theoretical support and methodological insight for structural design in multiphase interface modulation as experimental capabilities continue to advance.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"48 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547400","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":"Modulating Surface Chemisorbed Oxygen of Cobalt-Doped In2O3 Microspheres for ppb-Level Formaldehyde Detection","authors":"Guotao Lin, Yining Chen, Qi Lei, Qingge Feng, Qihua Liang, Guo-Dong Li","doi":"10.1016/j.jallcom.2025.182037","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.182037","url":null,"abstract":"Developing high-performance formaldehyde sensors is crucial for safeguarding human health, given formaldehyde’s prevalence as a hazardous indoor volatile organic compound. However, formaldehyde sensors have struggled to meet demand in terms of operating temperature, selectivity, and detection limits, especially for ppb-level formaldehyde detection. Herein, Co-doped In<sub>2</sub>O<sub>3</sub> microspheres were synthesized by solvothermal methods combined with hydrolysis methods. The introduction of heterovalent cobalt metal can generate more oxygen vacancies of In<sub>2</sub>O<sub>3</sub>, enriching its surface active sites and optimizing its surface chemisorbed oxygen, thus effectively enhancing the formaldehyde sensing performance. The experimental results show that Co doping significantly enhances the formaldehyde sensing performance of In<sub>2</sub>O<sub>3</sub>, in which the optimal Co-doped In<sub>2</sub>O<sub>3</sub> ratio (S2) based sensor exhibits an exceptionally high response (R<sub>a</sub>/R<sub>g</sub> = 1342 ± 64) to 100 ppm formaldehyde at 90 ℃, about 13.8 times greater than the pure In<sub>2</sub>O<sub>3</sub>-based sensor. Additionally, it features a rapid response (≈ 2<!-- --> <!-- -->s), excellent selectivity, and an ultralow detection limit of 10 ppb. The enhanced formaldehyde detection performance primarily arises from cobalt’s catalytic activity, the increase in specific surface area, and the increase in oxygen vacancies, which optimize the surface chemisorbed oxygen.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"46 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547519","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":"Intriguing kagome topological materials","authors":"Qi Wang, Hechang Lei, Yanpeng Qi, Claudia Felser","doi":"10.1038/s41535-025-00790-3","DOIUrl":"https://doi.org/10.1038/s41535-025-00790-3","url":null,"abstract":"<p>Topological quantum materials with kagome lattice have become the emerging frontier in the context of condensed matter physics. Kagome lattice harbors strong magnetic frustration and topological electronic states generated by the unique geometric configuration. Kagome lattice has the peculiar advantages in the aspects of magnetism, topology as well as strong correlation when the spin, charge, or orbit degrees of free is introduced, and providing a promising platform for investigating the entangled interactions among them. In this paper, we will systematically introduce the research progress on the kagome topological materials and give a perspective in the framework of the potential future development directions in this field.</p>","PeriodicalId":19283,"journal":{"name":"npj Quantum Materials","volume":"27 1","pages":""},"PeriodicalIF":5.7,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS NanoPub Date : 2025-07-03DOI: 10.1021/acsnano.5c05114
Sofie Verschraegen,David W Collinson,Sarah A Hesse,Christopher J Takacs,Klaartje De Buysser,Dagmar R D'hooge,Karen De Clerck,Reinhold H Dauskardt
{"title":"Kinetically Controlled Mesoporous Silica Films for Quasi-3D Nanoconfinement of Semicrystalline Polymers below Their Lamellae Dimensions.","authors":"Sofie Verschraegen,David W Collinson,Sarah A Hesse,Christopher J Takacs,Klaartje De Buysser,Dagmar R D'hooge,Karen De Clerck,Reinhold H Dauskardt","doi":"10.1021/acsnano.5c05114","DOIUrl":"https://doi.org/10.1021/acsnano.5c05114","url":null,"abstract":"Mesoporous silica thin films are candidates for next-generation dielectric materials due to their potential for control over their texture, high surface area, and good dielectric properties. Further, their dielectric response can potentially be further modified by infiltrating a second phase such as a polymer to produce thin film nanocomposite dielectrics. Despite their potential, uptake of mesoporous silica thin films has been hindered by difficulties in controlling the nanoscale structure and silica texture. We employ advanced characterization and kinetic Monte Carlo modeling to identify critical synthesis parameters governing the mesoporous silica texture. Different degrees of pore ordering can be achieved from quasi-random to highly ordered, eliminating the trial-and-error typically associated with achieving a targeted nanostructure. We then infiltrate semicrystalline poly(vinylidene fluoride) and polypropylene into the sub-10 nm pores to completely suppress the formation of crystalline domains in the polymers and produce nanocomposite dielectrics. Polypropylene nanocomposite dielectrics exhibit dielectric constants ∼20% higher than silica and 125% greater than those of polypropylene. Poly(vinylidene fluoride) nanocomposites exhibit relaxor ferroelectric behavior. These dielectric materials are enabled by controlled, hierarchical design that spans the self-assembly of the silica matrix, tuning of the pore surface chemistry, and modification of the polymer conformations through the resulting quasi-3D nanoconfinement. We believe that these nanocomposites represent a powerful platform for the study of polymers under extreme levels of confinement, as well as a potential platform for next-generation dielectric materials.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"50 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SmallPub Date : 2025-07-03DOI: 10.1002/smll.202502941
Jinlong Du,Yaoning Xi,Di Ma,Hongzhang Zhang,Xiangkun Ma,Xiaofei Yang,Xianfeng Li
{"title":"LiF Pre-Nucleation Strategy for Mitigating Heat Generation at the Kinetic Bottleneck in Li/CFx Batteries.","authors":"Jinlong Du,Yaoning Xi,Di Ma,Hongzhang Zhang,Xiangkun Ma,Xiaofei Yang,Xianfeng Li","doi":"10.1002/smll.202502941","DOIUrl":"https://doi.org/10.1002/smll.202502941","url":null,"abstract":"Li/fluorinated carbon (Li/CFx) primary batteries offer ultrahigh energy density but are hindered by undesirable and often overlooked exothermic reactions, especially under high current densities. Herein, for the first time, the correlation between CFx structural evolution and heat generation is systematically investigated, identifying LiF nucleation as the kinetic bottleneck. At this stage, the temperature rise rate is 8.6 to 29.8 times higher than during the LiF growth stage in a 20 Ah pouch cell at 0.5 C. Based on these findings, it is proposed a LiF pre-nucleation strategy by chemically introducing LiF nuclei. LiF exhibits stronger adsorption energy on pre-existing LiF nuclei than on CFx substrate, thereby promoting selective LiF growth on these nuclei. As a result, the LiF nucleation overpotential is reduced by 0.32 V, and the temperature rise rate at the kinetic bottleneck step decreases from 0.149 to 0.097 °C s-1, leading to a 13.5 °C reduction at LiF nucleation stage. This study not only deepens the understanding of heat generation mechanisms in Li/CFx batteries but also provides a new strategy for enhancing Li/CFx battery safety.","PeriodicalId":228,"journal":{"name":"Small","volume":"36 1","pages":"e2502941"},"PeriodicalIF":13.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547886","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":"Acidification of Polyphthalocyanine Boosts Solid-State Proton Battery Performance with High Specific Capacity and Robust Cycling Stability.","authors":"Guo-Qin Zhang,Bao Liu,Hao-Yu Li,Shu-Ping Ye,Shuo Zuo,Qiao Qiao,Gongping Liu,Hong-Bin Luo,Xiao-Ming Ren","doi":"10.1002/smll.202505839","DOIUrl":"https://doi.org/10.1002/smll.202505839","url":null,"abstract":"Solid-state proton batteries are regarded as one of the most promising energy storage technologies. However, the shortage of efficient protonic electrolytes significantly hinders their development. In this study, a simple, efficient, and scalable method for synthesizing metal-free polyphthalocyanine (H2PPc) with high purity and crystallinity is presented, which is subsequently integrated with methanesulfonic acid (MeSA) to give a solid protonic electrolyte, MeSA@H2PPc, demonstrating great potential for application in proton batteries. Remarkably, MeSA@H2PPc shows superior proton conduction exceeding 10‒3 S cm‒1 under ambient conditions, along with excellent long-term stability and the widest electrochemical stability window (ESW) reported to date for solid protonic electrolytes. More impressively, when used in solid-state proton batteries, MeSA@H2PPc enables excellent rate performance, robust cycling durability, and a record-high specific capacity, surpassing previously reported solid-state systems and outperforming many proton batteries based on conventional liquid electrolytes.","PeriodicalId":228,"journal":{"name":"Small","volume":"696 1","pages":"e2505839"},"PeriodicalIF":13.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547885","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}