Materials Advances最新文献

{"title":"Density functional theory prediction of a novel hybrid organic–inorganic bidentate perovskite with charge transport perpendicular to the inorganic layer","authors":"Sergio Romero-García, Susana Ramos-Terrón, Gustavo de Miguel, Per Hyldgaard, Luis Camacho and David López-Durán","doi":"10.1039/D6MA00307A","DOIUrl":"https://doi.org/10.1039/D6MA00307A","url":null,"abstract":"<p >Bidentate perovskites, a novel family within this class of solids, have recently attracted the attention of the scientific community. Their spacers feature a dual anchoring mechanism onto the inorganic framework, characteristic of the Dion-Jacobson phases, while the attachment occurs within the same octahedral layer, as observed in the Ruddlesden–Popper perovskites. In this work, we present a hybrid organic–inorganic bidentate perovskite that exhibits diamines as organic spacers between the inorganic layers of PbI<small>₆</small> octahedra, in particular, 4,4′-dithiodianiline. A geometric optimization was carried out within the Density Functional Theory framework as implemented in the Quantum Espresso code. We employed the nonempirical consistent-exchange vdW-DF-cx functional [DOI:10.1103/PhysRevB.51.4014] to obtain precise geometry and electronic properties. The total density of states, band structure, valence and conduction band, and changes in the electronic clouds are analysed, finding that the band gap of this new perovskite is 2.55 eV, which reveals a semiconductor nature. In the valence band, the dominant contribution originates from the inorganic layer, whereas in the conduction band the initial contributions arise from the spacer, in particular, from the carbon and sulfur atoms. This suggests charge transport between the inorganic layers, perpendicularly and through the organic moieties. Our findings therefore contribute to the development of novel materials for optoelectronic applications, such as solar cells.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 12","pages":" 6070-6079"},"PeriodicalIF":5.8,"publicationDate":"2026-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00307a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Topological diagnosis of polymer composites via inversion of nonlinear dielectric mixing rules","authors":"Proity Nayeeb Akbar","doi":"10.1039/D5MA01502B","DOIUrl":"https://doi.org/10.1039/D5MA01502B","url":null,"abstract":"<p >Accurate determination of the complex effective permittivity is fundamental to optical material engineering, but it remains a critical metrology challenge for heterogeneous systems. In polymer blends and optical composites, scattering and nonlinear dielectric effects severely distort spectral signatures, causing conventional linear unmixing and data-driven approaches to fail. Here, we present an inverse reconstruction framework that retrieves the broadband complex permittivity and constituent composition of strongly scattering mixtures directly from a single infrared (IR) extinction spectrum. The method integrates scattering theory, Lorentz oscillator modeling, and a generalized set of nonlinear effective medium approximations (EMAs) to simultaneously identify component spectra, estimate volume fractions, and, crucially, diagnose the underlying microstructure. The reconstruction algorithm demonstrates robust performance across synthetic two- and multi-component polymer blends, rigorously testing the efficacy of inverted, logarithmic, and cubic mixing regimes. By comparing the statistical causality and fitting quality of these competing EMAs, the framework uniquely provides a non-destructive, optical diagnosis of the blend's dominant interaction topology (<em>e.g.</em> co-continuous <em>vs.</em> stratified/series). The reconstructed permittivity spectra are dispersion-consistent and reveal physically interpretable optical properties across the full IR range. This framework establishes a new paradigm for inverse metrology in photonics, providing a necessary, physics-grounded foundation for the quantitative characterization and rational design of nonlinear optical composites. Specifically, by providing scattering-immune effective permittivity for forward modeling and delivering a physics-based diagnosis of the underlying microstructure, the framework enables engineers to reliably link fabrication parameters to the intended optical function.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 11","pages":" 5579-5593"},"PeriodicalIF":4.7,"publicationDate":"2026-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d5ma01502b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bridging energy conversion and storage: precursor-engineered Co@CoO–Y2O3 heterostructures for oxygen reduction reaction and battery-type supercapacitor applications","authors":"Sukhendu Bikash Samanta, Soumalya Roy, Sudipta Palit, Joshi Ankitkumar Bharatbhai, Nishipadma Barik, Himchan Mo, Junseong Lee, Soumen Giri and Sourav Das","doi":"10.1039/D6MA00229C","DOIUrl":"https://doi.org/10.1039/D6MA00229C","url":null,"abstract":"<p >The escalating consumption of fossil fuels and the intermittency of renewable power have intensified the need for multifunctional electrochemical materials that can couple efficient energy conversion and durable energy storage while avoiding device-level complexity and reliance on Pt. Herein, we report a non-noble metal-based Co@CoO–Y<small>₂</small>O<small>₃</small> (CCY) heterostructured composite synthesized <em>via</em> the pyrolysis of a well-defined cobalt–yttrium single-crystal precursor complex. Structural and spectroscopic analyses confirm the coexistence of metallic Co, CoO, and Y<small>₂</small>O<small>₃</small> phases, with strong Co–O–Y interfacial coupling and oxygen-vacancy-rich heterointerfaces arising from rare-earth oxide incorporation. The CCY composite exhibited hierarchical mesoporosity, facilitating mass transport and active site accessibility. In alkaline media (1 M KOH), CCY demonstrates competitive oxygen reduction reaction (ORR) activity, delivering a half-wave potential of 0.603 V (<em>vs.</em> RHE), an onset potential of 0.79 V, and stable operation for over 24 h. Koutecky–Levich analysis indicates a predominantly two-electron ORR pathway with high peroxide selectivity, highlighting its suitability for non-Pt catalytic systems. Simultaneously, when employed as a battery-type supercapacitor electrode, CCY exhibited electrolyte-dependent faradaic charge storage, achieving specific capacitances of 22, 18.74, and 10.12 F g<small>⁻¹</small> at 0.1 A g<small>⁻¹</small> in KOH, NaOH, and LiOH electrolytes, respectively, along with a low charge-transfer resistance and ∼64.14% capacitance retention over 10 000 cycles. The incorporation of Y<small>₂</small>O<small>₃</small> stabilizes the Co@CoO framework by suppressing cobalt dissolution and inducing interfacial electronic modulation and oxygen vacancy formation. This study establishes a scalable, precursor-driven strategy for designing rare-earth-modified bifunctional materials for integrated energy conversion and storage applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 12","pages":" 6193-6209"},"PeriodicalIF":5.8,"publicationDate":"2026-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00229c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ligand specific bioconjugation induced modulation of quantum yield in CdTe and graphene quantum dots","authors":"Akhil Khajuria, Jatinder Kaur, Hema K. Alajangi, Suraj Pratap Singh, Pritiman Pothal, Manpreet Singh, Mahima Thakur, Pavitra Ranawat, Ravi Pratap Barnwal and Gurpal Singh","doi":"10.1039/D6MA00084C","DOIUrl":"https://doi.org/10.1039/D6MA00084C","url":null,"abstract":"<p >Quantum yield (QY) is essential for assessing the efficacy of fluorescent nanomaterials, especially for biosensing, bioimaging, and optoelectronic applications. It indicates the efficacy with which a material emits light when excited, and this efficacy directly influences our ability to detect and visualize biological activities at the molecular scale. The present study evaluated how bioconjugation of biologically relevant compounds to quantum dots (QDs) can influence their QY. We used cadmium telluride (CdTe) QDs capped with mercaptopropionic acid and nitrogen-doped graphene QDs (GQDs) as model systems. These were combined with folic acid, thiamine, cobalamin, bovine serum albumin, and DNA <em>via</em> EDC/NHS coupling chemistry. Our results indicated that QY is significantly influenced by the type of biomolecule and its concentration. While CdTe Qds exhibited superior intrinsic QY, GQDs displayed enhanced stability and biocompatibility, with certain conjugations significantly increasing their fluorescence. These findings underscore the significance of surface chemistry in modulating the optical properties of QDs. The present research thoroughly examines changes in QY during conjugation, providing essential insights for the development of advanced nanoprobes that are both fluorescent and stable, as well as biologically responsive. The research establishes a basis for developing modified, high-efficiency fluorescence systems for diagnostic, sensing, and therapeutic purposes.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 11","pages":" 5679-5692"},"PeriodicalIF":4.7,"publicationDate":"2026-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00084c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-healing pseudo–piezoelectric pressure sensors from sustainable and recyclable materials","authors":"Cephas Amoah, Maria Jose Rojas Herrera, William Quentin Stroebel and W. G. Skene","doi":"10.1039/D5MA01489A","DOIUrl":"https://doi.org/10.1039/D5MA01489A","url":null,"abstract":"<p >Advances in pressure sensing technologies are driven by the growing demand for flexible, lightweight, and highly sensitive devices for wearable electronics, robotics, and human–machine interfacing. While conventional piezoresistive, capacitive, and piezoelectric sensors have been successfully used in applications, they often struggle with mechanical rigidity, signal instability, and limited compatibility with soft systems. In this study, we present a pseudo–piezoelectric pressure sensor that combines both self-healing and sustainable materials while being designed for touch-level detection. Conductive and flexible films were prepared by blending sustainable and recyclable materials in water: a biopolymer (chitosan) and a natural deep eutectic solvent (NADES) as a plasticizer. The advantage of the elastomer is its mechanical degradation (scars, cracks, and tears) can be self-healed. A proof-of-concept sensor was fabricated using a simple bilayer architecture by integrating a conducting polymer (<strong>pPDS</strong>) into one of the elastomer layers to enable asymmetric charge dynamics. The sensitivity of the resulting device was 128.4 mV kPa<small>⁻¹</small>. The sensitivity was also reliable and the sensor's physical damage caused by over stretching could be self-healed. These results underscore the promise of iontronic sensors that exploit interfacial ionic mobility and electrostatic coupling, offering a sustainable pathway toward next-generation tactile sensors for soft, low-force applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 10","pages":" 5375-5383"},"PeriodicalIF":4.7,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d5ma01489a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011649","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamic studies on entropy stabilized oxide (Co,Cu,Mg,Ni,Zn)O","authors":"Florina Teodorescu, Cornelia Marinescu, Ancuta Sofronia, Alina Botea-Petcu, Cristian Hornoiu, Mihail-Călin Licu, Florentina Maxim, David Bérardan, Nita Dragoe and Speranta Tanasescu","doi":"10.1039/D6MA00097E","DOIUrl":"https://doi.org/10.1039/D6MA00097E","url":null,"abstract":"<p >Thermodynamic properties of the rock-salt entropy stabilized oxide (Co,Cu,Mg,Ni,Zn)O have been determined and the relevant functions suitable for evaluation of thermodynamic stability in particular temperature ranges associated with structural changes during heating have been measured. The energetic parameters obtained <em>via</em> several experimental methods under both the equilibrium and dynamic conditions (drop calorimetry, solid state electromotive force measurements, DSC/TG), together with the thermal expansion and electrical conductivity data, have been analyzed, and the relationship of the thermodynamic stability with changes in the defect structure has been revealed. Our results are consistent with a phase transition to a high entropy state around 1150 K and the large negative values of the free energy, observed in the 1173 to 1223 K temperature domain, highlight a more stable state in the sample with the rock-salt structure. The partial molar enthalpy and entropy values of oxygen dissolution in the crystalline phase increase with increasing temperature suggesting the decrease of the binding energy of oxygen and the decrease of order in the oxygen sublattice of the structure, respectively. Due to the significant increase in partial molar entropy in the temperature range of 1173–1273 K, it is likely that oxygen vacancies are not concentrated at specific oxygen sites but they are randomly distributed, supporting the previous findings related to an entropy-driven phase transformation. The experimental methods outlined in this report can be used to distinguish between the phase transitions associated with the formation of an entropy stabilized phase and highlight the correlative effects of temperature and defect structure on the thermodynamic behavior of the (Co,Cu,Mg,Ni,Zn)O compound.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 11","pages":" 5502-5512"},"PeriodicalIF":4.7,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00097e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring structural, electronic, mechanical, and hydrogen storage properties of Mg3ZH8 (Z = Fe, Co): a density functional theory study","authors":"Md. Hasan Mia, Md. Zahid Hasan, A. Arunkumar and S. AlFaify","doi":"10.1039/D6MA00353B","DOIUrl":"https://doi.org/10.1039/D6MA00353B","url":null,"abstract":"<p >The development of efficient hydrogen storage materials is crucial for practical hydrogen energy utilization. This study uses first-principles density functional theory (DFT) to examine the structural, electronic, mechanical, optical, and hydrogen storage properties of Mg<small>₃</small>ZH<small>₈</small> (Z = Fe, Co) complex hydrides. Both compounds are thermodynamically and dynamically stable, as confirmed by negative formation energies and phonon spectra free of imaginary modes. Mg<small>₃</small>FeH<small>₈</small> exhibits a ferromagnetic metallic ground state, while Mg<small>₃</small>CoH<small>₈</small> shows non-magnetic metallic behavior, with transition-metal d states playing a key role in their electronic and magnetic properties. The calculated gravimetric hydrogen storage capacities of 5.90 wt% for Mg<small>₃</small>FeH<small>₈</small> and 5.76 wt% for Mg<small>₃</small>CoH<small>₈</small>, along with high volumetric densities of 195.6 and 186.6 g H<small>₂</small> per L, respectively, surpass current U.S. Department of Energy targets. Dehydrogenation thermodynamics show moderate desorption temperatures, with Mg<small>₃</small>FeH<small>₈</small> demonstrating better hydrogen release behavior. Mechanical analysis indicates ductility with positive Cauchy pressure, high Pugh's ratios, and moderate Vickers hardness, suggesting resistance to hydrogen embrittlement. Optical and transport properties reveal metallic conductivity, which enhances hydrogen desorption kinetics. These findings position Mg<small>₃</small>ZH<small>₈</small> (Z = Fe, Co) as a promising hydrogen storage material and provide a solid theoretical basis for future experimental work.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 10","pages":" 5361-5374"},"PeriodicalIF":4.7,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00353b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modulation of oxygen vacancies influences the electrocatalytic performance of Ni-doped ceria for oxygen and hydrogen evolution","authors":"Ajit Kumar Dhanka, Mayank Tiwari, Prashant K. Bhartiya, Balaram Pani, Avneesh Mittal, Debabrata Mishra and Nityananda Agasti","doi":"10.1039/D6MA00528D","DOIUrl":"https://doi.org/10.1039/D6MA00528D","url":null,"abstract":"<p >The development of high-performance catalysts for electrochemical water splitting continues to drive advancements in sustainable hydrogen production. With ceria-based materials being potential catalysts owing to their remarkable redox behaviour, modulation of defects in ceria is an effective strategy for efficient electrocatalytic water splitting. Thus, aiming to study the creation of oxygen vacancies as a function of dopant concentration, this report demonstrates enhanced electrocatalytic water splitting by regulating defects in ceria <em>via</em> nickel doping. Nickel-doped ceria acts as a bifunctional electrocatalyst with enhanced activity for both oxygen and hydrogen evolution. This improvement stems from interfacial interactions between Ni and the CeO<small>₂</small>, which enhances oxygen vacancy defects in ceria. Mechanistic insights derived by a range of spectroscopic techniques reveal an enhancement in oxygen vacancies in ceria with the increase in the concentration of the dopant. Photoluminescence (PL) studies reveal suppressed charge recombination, indicating efficient electron–hole separation facilitated by the defects. The defect regulated electrocatalytic performance has been established <em>via</em> the electrocatalytic hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) with the evolution of H<small>₂</small> and O<small>₂</small> quantitatively estimated, using Ni-doped CeO<small>₂</small> and undoped CeO<small>₂</small>. Notably, doping of Ni results in a significant reduction in overpotential by 87 mV for oxygen evolution and 59 mV for hydrogen evolution. In addition, current densities also experience a substantial increase by 166 mA cm<small>⁻²</small> for oxygen evolution and 96 mA cm<small>⁻²</small> for hydrogen evolution. The reduction in the Tafel slope from 381 to 199 mV dec<small>⁻¹</small> for the OER and from 334 to 217 mV dec<small>⁻¹</small> for the HER indicates faster reaction kinetics. Chronoamperometric measurement reveals notable electrochemical stability of the Ni-doped CeO<small>₂</small> electrocatalyst. This study on defect structure-related electrocatalysis provides insight into the dopant regulated defect generation in ceria-based materials for designing electrocatalysts for effective water splitting.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 12","pages":" 6001-6019"},"PeriodicalIF":5.8,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00528d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of pressure-induced structural change in Al2O3–SiO2 glasses on the sound velocity and Poisson's ratio under pressure","authors":"Itaru Ohira, Yoshio Kono, Steeve Gréaux, Sayako Inoué, Nozomi M. Kondo, Sho Kakizawa, Yuji Higo, Noriyoshi Tsujino, Rostislav Hrubiak, Guoyin Shen and Atsunobu Masuno","doi":"10.1039/D6MA00275G","DOIUrl":"https://doi.org/10.1039/D6MA00275G","url":null,"abstract":"<p >In this study, we investigated pressure-induced changes in the structure and elastic properties of <em>x</em>Al<small>₂</small>O<small>₃</small>–(100 − <em>x</em>)SiO<small>₂</small> glasses (<em>x</em> = 29, 36, 43, 50, 60 mol%; referred to as <em>x</em>AS) by <em>in situ</em> high-pressure pair distribution function measurement and sound velocity measurement. The 29AS and 60AS glasses are regarded as Si-rich/Al-rich end-member compositions, and the 36AS, 43AS, and 50AS glasses consist of the two end-member phases at the nanoscale. The 29AS glass shows gradual changes in the intermediate-range order up to 9.3 GPa, similar to SiO<small>₂</small> glass, while the 60AS glass exhibits a rapid structural change at 7.4–8.4 GPa, similar to CaAl<small>₂</small>O<small>₄</small> glass. This rapid structural change causes a kink in the sound velocity–pressure trend near 8 GPa, as also observed in CaAl<small>₂</small>O<small>₄</small> glass. In contrast, the Si-rich end-member 29AS glass does not exhibit the velocity kink. The Poisson's ratios of the five AS glasses and the SiO<small>₂</small> glass start to converge above ∼11 GPa, finally reaching a constant value of ∼0.32 at a pressure of ∼20 GPa. This result indicates that both the Si-rich and Al-rich end-members have a similar structure above ∼20 GPa.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 11","pages":" 5561-5568"},"PeriodicalIF":4.7,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00275g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The influence of rheology on 3D printing with heterogeneous reactive polyurethane reagents","authors":"Yuyang Wu, Zuoxin Zhou, Xuesong Lu, Amy Stimpson, Agustin Forchetti Casarino, Wayne Hayes, Christopher Tuck, Ricky D. Wildman and Derek Irvine","doi":"10.1039/D5MA01460C","DOIUrl":"https://doi.org/10.1039/D5MA01460C","url":null,"abstract":"<p >The successful printing of multi-layer, multi-material polyurethane woodpile structures with good structural fidelity and rigidity was demonstrated <em>via</em> polymerisation-based reactive extrusion processing. Two heterogeneous, viscoelastic feed-streams, <em>i.e.</em> a diol and a polymeric isocyanate reagent (which was selected to improve flow-process safety), which contained fumed silica microparticle reagents were mixed and the printing performance was shown to be governed by relative rheological properties of the feeds and by the polymerisation exotherms generated upon mixing. The influence of the polymer rheological characteristics on the polymerisation, exotherms and extent of reaction achieved has not been extensively explored to date. To understand the impact of feedstock characteristics on the printing process, polydimethylsiloxane coated fumed silica particles were added to the two polymer feeds. These were designed to act as: (a) inorganic functional materials to modify the material properties of the printed devices, (b) additives that modify the feed materials’ rheology and (c) inorganic fillers that moderate the polymerization exotherm. The experimental results demonstrated that the viscosity and elasticity of the poly(isocyanate) feed, which is tuned through silica particle content, must be comparable to or lower than those of the diol feed. This requirement was attributed to the mixing characteristics that developed when the two feed streams were combined, which ultimately determined the interfacial reactive area created and dictated the rate/extent of the step-growth reaction.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 11","pages":" 5806-5820"},"PeriodicalIF":4.7,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d5ma01460c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}