Materials Advances最新文献

{"title":"Comprehensive impedance spectroscopy, Raman, and infrared studies of the ferroelectric properties and application of BiFeWO6","authors":"B. S. Tripathy, Balaji Umapathi, Priyabrata Nayak and S. K. Parida","doi":"10.1039/D5MA00643K","DOIUrl":"https://doi.org/10.1039/D5MA00643K","url":null,"abstract":"<p >Tetragonal double perovskite BiFeWO<small>₆</small> nanopowders were successfully synthesized <em>via</em> the solid-state reaction technique. Structural characterization using X-ray diffraction (XRD) revealed an average crystallite size of 11.6 nm with a lattice strain of 0.06499. The study of the microstructure of the sample reveals uniform distribution of well-grown grains and presence of all constituent elements in both weight and atomic percentages. Optical properties were investigated through ultraviolet (UV)-visible spectroscopy, which revealed a bandgap energy of 1.41 eV, highlighting its potential for photovoltaic applications. Raman spectroscopy confirmed the presence of all constituent elemental vibrational modes associated with various molecular bonding interactions in the studied material. Dielectric analysis exhibited a Maxwell–Wagner-type polarization effect, indicating its potential as a material with a high dielectric constant and low loss for energy storage devices. The study of impedance plots revealed a negative temperature coefficient of resistance (NTCR) behavior, whereas the electrical modulus study suggested the presence of a non-Debye-type relaxation mechanism. The study of AC conductivity <em>versus</em> frequency and temperature revealed the fact that the conduction mechanism is controlled by thermally activated charge carriers. Again, semicircular Nyquist and Cole–Cole plots confirmed the semiconductor nature and well-supported impedance results. The resistance <em>versus</em> temperature plot showed an NTC thermistor character, indicating that BiFeWO<small>₆</small> is a strong candidate for temperature sensor devices.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 19","pages":" 6877-6893"},"PeriodicalIF":4.7,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00643k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145184012","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":"Effect of calcination temperature on nano-cobalt ferrite synthesized by a sol–gel method for modification of its structural, morphological, magnetic, electrical and optical properties","authors":"Md. Farid Ahmed, Afia Yasmin, Bristy Biswas, Md. Lutfor Rahman, Juliya Khanam, Rabeya Jahan Rakhi, Mahmuda Hakim, Md. Sahadat Hossain, Firoz Ahmed, Israt Jahan Lithi and Nahid Sharmin","doi":"10.1039/D5MA00209E","DOIUrl":"https://doi.org/10.1039/D5MA00209E","url":null,"abstract":"<p >Synthesis of cobalt ferrite (CoFe<small>₂</small>O<small>₄</small>) nanoparticles (NPs) through a sol–gel process is an efficient and cost-effective approach. This process is carried out at different calcination temperatures (500 °C, 600 °C, 700 °C, 800 °C, 900 °C and 1000 °C) using cobalt nitrate [Co(NO<small>₃</small>)<small>₂</small>·6H<small>₂</small>O], ferric nitrate [Fe(NO<small>₃</small>)<small>₃</small>·9H<small>₂</small>O], citric acid (C<small>₆</small>H<small>₈</small>O<small>₇</small>·H<small>₂</small>O), glycerol (C<small>₃</small>H<small>₈</small>O<small>₃</small>), and ammonium hydroxide (NH<small>₄</small>OH). It is found that different calcination temperatures affect the size of the crystallite produced, <em>i.e.</em>, at higher temperature the size of the crystals increases. To study the structural, optical, magnetic and dielectric properties of the cobalt ferrite nanoparticles synthesized by a sol–gel method, characterization techniques such as X-ray diffraction (XRD), simultaneous thermal analysis (STA), vibrating sample magnetometry (VSM), scanning electron microscopy (SEM) and Fourier transform infrared (FTIR) spectroscopy were carried out. XRD proved the face centered cubic structure of the NPs. At 1000 °C the sample T6 exhibited a higher zeta potential proving the stability of the solution. The crystallite size and lattice strain were measured by the Debye–Scherrer (D–S) method, Williamson–Hall (W–H) process, Halder–Wagner (H–W) method and size–strain plot (SSP) technique. XRD data confirm the presence of the single spinel phase of cobalt ferrite NPs for all the samples. The sample T1 showed the lowest crystallite size, and the crystallite size ranged from 33 nm to 169 nm for the T6 sample. Two FTIR absorption bands observed at about 402–403 cm<small>⁻¹</small> and 576–580 cm<small>⁻¹</small> are due to the octahedral M–O bond and the M–O bond at the tetrahedral site in the spinel cobalt ferrite, respectively. The SEM micrographs showed that the produced NPs are spherical in shape and homogenously distributed. The average particle size is found to be 46.72 nm for the sample annealed at 800 °C. The maximum saturation magnetization was found to be around 85–62 emu g<small>⁻¹</small>. The band gap energy was found using the Kubelka–Munk method, and it was found that as the annealing temperature increases the size of crystals increases and band gap energy ranges from 3.00 to 3.52 eV, respectively. Thus the sol–gel method can be used to modify the crystallite size at different calcination temperatures.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 19","pages":" 6724-6741"},"PeriodicalIF":4.7,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00209e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183981","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":"Amphiphilic cyclodextrin-based nanocarriers for magnetic delivery of a morphogen in microfluidic environments","authors":"Alessandro Surpi, Roberto Zagami, Marianna Barbalinardo, Nina Burduja, Giuseppe Nocito, Riccardo Di Corato, Maria Pia Casaletto, Francesco Valle, Angelo Nicosia, Placido Giuseppe Mineo, Valentin Alek Dediu and Antonino Mazzaglia","doi":"10.1039/D5MA00374A","DOIUrl":"https://doi.org/10.1039/D5MA00374A","url":null,"abstract":"<p >Reliable methodologies for spatio-temporal controlled delivery of morphogens are of key importance in organoid research, regenerative medicine and developmental biology. To develop such a methodology, we constructed a magnetic nanocarrier composed of a supramolecular nanoassembly of amphiphilic cyclodextrin (SC6OH) entangling superparamagnetic iron oxide nanoparticles (SPIONs) within the surface. Upon encapsulation of a defined amount of retinoic acid (RA), the nanocarriers are remotely guided through microfluidic channels to a cell culture compartment by a specifically designed magnetic device based on electro-mechanically actuated permanent magnets. We demonstrate the efficiency of this innovative technology for the delivery of morphogens by applying it to induce the differentiation of human neuroblastoma SH-SY5Y cells into neurons. The magnetically controlled RA delivery resulted in the successful induction of neuronal differentiation with precise spatial and temporal control while minimizing reliance on complex microfluidic setups. Thus, the integration of magnetic actuation with supramolecular nanocarriers promotes new efficient routes and scalable protocols that go beyond state-of-the-art research in various bio-medical applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 19","pages":" 6775-6786"},"PeriodicalIF":4.7,"publicationDate":"2025-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00374a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183984","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":"In-Petri-dish traveling and standing acoustic wave-assisted fabrication of anisotropic collagen hydrogels","authors":"Yingshan Du, Jiali Li, Chongpeng Qiu, Liang Shen, Teng Li, Bowen Cai, Luyu Bo and Zhenhua Tian","doi":"10.1039/D5MA00271K","DOIUrl":"https://doi.org/10.1039/D5MA00271K","url":null,"abstract":"<p >Anisotropic biomaterials containing oriented collagen fibers have shown great potential for various biomedical research areas, such as wound dressing, corneal grafting, and the study of cancer cell invasion in biomimetic microenvironments. To fabricate such anisotropic biomaterials, previous studies have used electric, microfluidic, magnetic, and mechanical methods to align collagen fibers during the fabrication process. In this study, we put forward traveling and standing acoustic wave-based approaches that enable the rapid in-Petri-dish fabrication of anisotropic biomaterials containing acoustically arranged collagen fibers. To develop these approaches, we investigated the effects of traveling and standing acoustic waves on collagen self-assembly and the micro/nanoscale architectures of the fabricated collagen-based biomaterials. Our results reveal that traveling acoustic wave-induced fluid streaming can transport collagen molecules, thereby influencing the collagen self-assembly process, while standing acoustic waves can accumulate self-assembled collagen fibers, increasing their concentrations in acoustic potential valleys periodically distributed. Using our acoustics-assisted approach, we successfully manufactured anisotropic collagen hydrogels containing aligned collagen fibers, which provide anisotropic microenvironments for cell growth and development. Notably, we demonstrated the functionality of these fabricated anisotropic collagen hydrogels in facilitating cell elongation along the acoustically aligned collagen fibers. Compared to previous methods, our acoustics-based approaches are easy to operate without requiring customized chambers for loading collagen and are capable of rapidly fabricating anisotropic collagen hydrogels directly in commercial Petri dishes, thus allowing our approaches to be readily integrated into existing laboratory workflows and combined with other test protocols. In the long run, we expect this work to inspire the development of useful tools that will benefit biomedical researchers working in tissue engineering, regenerative medicine, biomaterials, and bioprinting.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 18","pages":" 6394-6405"},"PeriodicalIF":4.7,"publicationDate":"2025-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00271k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145062069","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":"Silica-based hybrid materials formed by surface grafting with necklace polymers containing POSS–DMS structures","authors":"Shota Hikake, Hisao Oikawa and Masashi Kunitake","doi":"10.1039/D5MA00523J","DOIUrl":"https://doi.org/10.1039/D5MA00523J","url":null,"abstract":"<p >As organic–inorganic hybrids, necklace-type PDMS–POSS polymers were grafted onto silica particles and synthesized <em>via</em> a two-step ring-opening equilibrium polymerization of cyclic siloxane (D<small>₄</small>) and bifunctional POSS. The polymers were then grafted on silica particles of different sizes (100-nm hollow particles; and 200- and 500-nm solid particles) to fabricate POSS–DMS-grafted silica composites. The materials were characterized using <small>¹</small>H-NMR and <small>²⁹</small>Si-NMR spectroscopy to confirm the polymer structures and the degree of grafting. Thermogravimetric analysis was used to evaluate the thermal stability and quantify the grafted organic content. The results demonstrated that the grafting efficiency and thermal properties were influenced by both the average siloxane chain length and the surface area of the silica particles. The ungrafted POSS–DMS polymers showed the highest thermal stability (<em>T</em><small>_d,5%</small> &gt; 470 °C) at an average siloxane chain length of 3–4, indicating an optimal balance between POSS rigidity and siloxane flexibility. By contrast, the grafted silica samples exhibited a nearly constant <em>T</em><small>_d,5%</small> of approximately 460 °C, regardless of chain length. This indicates that grafting onto the silica surface restricts chain mobility and suppresses chain length-dependent thermal behavior.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 18","pages":" 6386-6393"},"PeriodicalIF":4.7,"publicationDate":"2025-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00523j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145062068","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":"CuBTC–clay composites with tunable ratios for antibiotic removal: unraveling isotherm, kinetic, and thermodynamic study†","authors":"Palkaran Sethi, Sanghamitra Barman and Soumen Basu","doi":"10.1039/D5MA00639B","DOIUrl":"https://doi.org/10.1039/D5MA00639B","url":null,"abstract":"<p >The growing contamination of water bodies with persistent antibiotics, such as tetracycline, presents a critical environmental challenge, demanding urgent and effective remediation strategies. The present investigation introduces a novel adsorbent, a hybrid composite of CuBTC and HNT clay, engineered for the highly efficient removal of tetracycline (TC) from wastewater. The CuBTC–HNT composite was synthesized in different ratios (1 : 1, 1 : 3, 3 : 1, and 1 : 5) and underwent extensive characterization using FESEM, EDS, FTIR, XPS, XRD, HRTEM, TGA, and BET surface area analysis. The adsorption process was carefully optimised using the synthesised hybrid composite as an adsorbent by adjusting crucial variables like dose, contaminant concentration, pH, temperature, stirring speed, and contact duration. Under optimized conditions, the composite demonstrated an outstanding adsorption efficiency of 94% of 25 ppm TC in 35 minutes within the pH range of 5–10. Moreover, reusability tests showed a consistent adsorption performance of 82% even after multiple cycles, reinforcing its sustainability and practical feasibility. Six different equilibrium isotherm models were employed: Freundlich, Temkin, Harkins–Jura, Halsey, Dubinin-Radushkevich, and Langmuir. Among these, the Langmuir model showed the best fit with a high correlation coefficient (<em>R</em><small>²</small> = 0.9963), confirming monolayer adsorption primarily governed by physiosorption (adsorption energy: 6.13 kJ mol<small>⁻¹</small>). Mechanistic insights from after-adsorption characterization (XRD, FTIR, and FESEM-EDS) revealed key interactions, including π–π stacking, hydrogen bonding, electrostatic attractions, and pore filling. Kinetic studies were conducted using five models—pseudo-first-order, pseudo-second-order, elovich, intraparticle diffusion, and liquid film model—where the pseudo-second-order model best described the adsorption process (<em>R</em><small>²</small> = 0.997), while thermodynamic analysis indicated that the process was endothermic, spontaneous, and entropically favourable (Δ<em>H</em> = 34.73423 kJ mol<small>⁻¹</small>, Δ<em>G</em> = −0.49777 kJ mol<small>⁻¹</small>, and Δ<em>S</em> = 0.109077 kJ mol<small>⁻¹</small> K<small>⁻¹</small>). This research delivers a comprehensive and in-depth evaluation of an advanced adsorption system, bridging fundamental adsorption science with practical environmental applications which is an urgent global need for cleaner and safer water resources.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 18","pages":" 6370-6385"},"PeriodicalIF":4.7,"publicationDate":"2025-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00639b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145062056","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":"Comprehensive study of the structural, microstructural, and electrical properties of RbZnPO4: insights into conduction mechanisms and the OLPT models","authors":"Imen Gharbi, Arafet Ghoudi, Najoua Weslati, Mohamed Tliha and Abderrazek Oueslati","doi":"10.1039/D5MA00506J","DOIUrl":"https://doi.org/10.1039/D5MA00506J","url":null,"abstract":"<p >The structural, microstructural, compositional, vibrational, and electrical properties of the rubidium zinc orthophosphate RbZnPO<small>₄</small> compound have been comprehensively investigated. X-Ray powder diffraction (XRPD) confirmed the crystallization of RbZnPO<small>₄</small> in a monoclinic system (space group <em>P</em>2<small>₁</small>), adopting a stuffed tridymite-type structure. Elemental analysis <em>via</em> energy-dispersive X-ray spectroscopy (EDS) confirmed the expected stoichiometry and homogeneous elemental distribution, while scanning electron microscopy (SEM) revealed a dense microstructure with submicron grain sizes (∼0.4205 μm). Raman spectroscopy identified internal modes and external vibrational modes of the phosphate [PO<small>₄</small>]<small>³⁻</small> units, confirming the structural integrity of the phosphate framework. Impedance spectroscopy highlighted the semiconducting behavior of the RbZnPO<small>₄</small> compound, with grain and grain boundary contributions effectively modeled using an equivalent circuit (R<small>₁</small>//CPE<small>₁</small>) + (R<small>₂</small>//CPE<small>₂</small>), where R and CPE represent the resistance and the Constant Phase Element, respectively. Temperature-dependent measurements revealed thermally activated conduction, characterized by negative temperature coefficient of resistance (NTCR) behavior. Activation energies for grains, grain boundaries, and total conduction were determined as 0.775, 1.173, and 0.581 eV, respectively. AC conductivity analyses further indicated frequency-dependent transport, consistent with the Overlapping Large Polaron Tunneling (OLPT) mechanism. The conduction mechanism has been thoroughly studied and well understood. These results demonstrate that RbZnPO<small>₄</small> is a chemically stable, structurally well-defined, and electrically active phosphate, suitable for potential applications in thermally activated ionic or electronic conduction systems, such as sensors.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 18","pages":" 6358-6369"},"PeriodicalIF":4.7,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00506j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145062055","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":"Layer-by-layer growth of graphene oxide multilayers using robust interlayer linking chemistry. 2 Zr–bissulfates","authors":"Neelanjana Mukherjee, Nancy S. Muyanja and G. J. Blanchard","doi":"10.1039/D5MA00601E","DOIUrl":"https://doi.org/10.1039/D5MA00601E","url":null,"abstract":"<p >We report on the facile layer-by-layer growth of graphene oxide sulfate (GO-S) multilayer structures. The layers are bonded to a modified planar silica support using Zr<small>⁴⁺</small> ions. Optical ellipsometry shows step-by-step layer growth with layer thickness consistent with that expected from molecular mechanics calculations. The reaction to form Zr–bissulfate linkages is facile, with multistep layer deposition occurring within six to ten minutes per layer. The GO-S layers can be deposited directly on GO-S underlayer(s) or interlayer spacers can be incorporated to control the spacing with GO-S layers. X-ray photoelectron spectroscopy (XPS) data provides information on the density of the sulfonated groups present at the graphene oxide surface and on the Zr : S ratio. This is the first report we are aware of that demonstrates robust layer-by-layer growth of graphene oxide structures.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 20","pages":" 7273-7281"},"PeriodicalIF":4.7,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00601e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284125","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":"Lithium recovery using a spinel-type hydrogen manganese oxide (HMO)–SBA-15 nanocomposite†","authors":"Keivan Sohrabpour, Antonio Grisolia, Francesco Chidichimo, Pietro Argurio, Efrem Curcio, Salvatore Straface and Luigi Pasqua","doi":"10.1039/D5MA00467E","DOIUrl":"https://doi.org/10.1039/D5MA00467E","url":null,"abstract":"<p >In today's economy, lithium is a crucial material, especially for electric vehicles (EVs) and renewable energy storage systems, which highlights the need for a more efficient and sustainable extraction method. There are well-established traditional methods such as brine evaporation and mineral processing, but they are time consuming, resource-intensive, and environmentally damaging. To address these issues, numerous methods have been proposed, and adsorption has emerged as a promising alternative. In this study, we report the development of a novel nanocomposite material (HMO-SBA15) synthesized <em>via</em> a straightforward and scalable route, starting from Santa Barbara amorphous (SBA) mesoporous silica and hydrogen manganese oxide (HMO), for the selective capture of lithium. HMO–SBA15 was synthesized by incorporating Li<small>₄</small>Mn<small>₅</small>O<small>₁₂</small> into SBA15<small>_calc</small>, followed by H<small>⁺</small> exchange to form a lithium ion-sieve (LIS) to capture lithium from an aqueous solution. The material was characterized by SEM, TEM, nitrogen adsorption–desorption analysis, FTIR, XRD, and TGA. Adsorption was evaluated under different conditions, namely pH, initial lithium concentrations, and contact time. The maximum adsorption capacity of 14.2 mg g<small>⁻¹</small> was achieved after 6 hours at pH ∼ 7 and <em>C</em><small>₀</small> = 350 mg L<small>⁻¹</small>. Through kinetic and isotherm studies it was shown that the adsorption process followed a pseudo-second-order model, and the Langmuir isotherm best described the adsorption behavior, indicating monolayer adsorption. We demonstrated that the HMO–SBA15 composite has the potential to recover lithium from an aqueous solution and, with high surface area, structural stability, and operating at near-neutral pH, may be a sustainable and environmentally friendly alternative to traditional lithium extraction materials.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 18","pages":" 6345-6357"},"PeriodicalIF":4.7,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00467e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145062054","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":"First-principles evaluation of the elastic properties of crystalline Li-ion conductors","authors":"Masato Torii, Atsushi Sakuda, Kota Motohashi and Akitoshi Hayashi","doi":"10.1039/D5MA00733J","DOIUrl":"https://doi.org/10.1039/D5MA00733J","url":null,"abstract":"<p >All-solid-state batteries have emerged as alternative rechargeable batteries offering high energy density and enhanced safety. However, suppressing their mechanical degradation is challenging. In particular, inorganic solid electrolytes must form mechanically stable solid–solid interfaces with electrode active materials, making the examination of their elastic properties essential for creating robust interfaces. Pugh's ratio (<em>B</em>/<em>G</em>) serves as a key parameter for estimating ductility, with a desirable value exceeding 1.75—a criterion originally proposed for polycrystalline metals. In this study, the elastic properties of Li-ion-conducting crystalline electrolytes were comprehensively evaluated <em>via</em> first-principles calculations. The calculated mechanical properties of their crystal structures were classified based on their anion elements. The elastic moduli of sulfide and halide crystals were relatively lower than those of oxide and nitride materials. The Pugh ratios of sulfide crystals were generally higher than 1.75, while those of oxide crystals clustered around 1.75 and nitride crystals typically fell below this threshold. Additionally, a nonlinear correlation between mean atomic volume and elastic constants was observed. Among the various electrolytes, Li<small>₂</small>SO<small>₄</small> exhibited exceptional elastic properties: α-Li<small>₂</small>SO<small>₄</small> demonstrated a significantly high <em>B</em>/<em>G</em> value of 4.28, indicating distinctive ductility.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 18","pages":" 6445-6453"},"PeriodicalIF":4.7,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00733j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145062010","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}