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Multianvil synthesis and nonlinear optical properties of high-pressure SrTeO3. 高压SrTeO3的多砧合成及非线性光学性质。
IF 5.8
Materials Advances Pub Date : 2026-06-25 eCollection Date: 2026-07-20 DOI: 10.1039/d6ma00662k
Benjamin J Pullicino, Lkhamsuren Bayarjargal, Björn Winkler, Matthias Weil, Gunter Heymann
{"title":"Multianvil synthesis and nonlinear optical properties of high-pressure SrTeO<sub>3</sub>.","authors":"Benjamin J Pullicino, Lkhamsuren Bayarjargal, Björn Winkler, Matthias Weil, Gunter Heymann","doi":"10.1039/d6ma00662k","DOIUrl":"10.1039/d6ma00662k","url":null,"abstract":"<p><p>Starting from stoichiometric SrO/TeO<sub>2</sub> mixtures, the high-pressure/high-temperature synthesis in an 18/11 multianvil assembly at 8.8 GPa and 900 °C led to a new polymorph of SrTeO<sub>3</sub> (HP-SrTeO<sub>3</sub>). Single-crystal and powder X-ray diffraction revealed the non-centrosymmetric space group <i>Cc</i> with cell parameters <i>a</i> = 891.22(6), <i>b</i> = 1195.14(7), <i>c</i> = 1320.8(2) pm, <i>β</i> = 108.20(1)°, supported by second harmonic generation (SHG) measurements with SHG intensities comparable to those of α-quartz. The crystal structure is highly similar to that of the recently discovered HP-BaTeO<sub>3</sub> having the centrosymmetric space group <i>P</i>2<sub>1</sub>/<i>c</i>. Additional weak Te⋯O secondary contacts between adjacent [TeO<sub>3</sub>]<sup>2-</sup> groups distinguish HP-SrTeO<sub>3</sub> from HP-BaTeO<sub>3</sub>. A detailed analysis of the differences in crystal structures, along with the associated loss of centrosymmetry is discussed. Temperature-dependent powder X-ray diffraction combined with thermal analysis measurements revealed phase transitions near 225 °C to an unknown phase, followed by transformation to the ambient-pressure, high-temperature polymorph δ-SrTeO<sub>3</sub> at 545 °C. UV-vis diffuse reflectance spectroscopy and Tauc plot analyses indicate a wide band gap with direct and indirect transitions of 4.2 eV and 4.0 eV, respectively. Bond-length/bond-strength and CHARDI analyses confirm chemically reasonable valence distributions and experimental IR and Raman spectra are discussed and compared to data calculated by using density functional theory, DFT.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" ","pages":"7326-7339"},"PeriodicalIF":5.8,"publicationDate":"2026-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13322752/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148376188","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}
引用次数: 0
Nanoporosity boosts irradiation-induced dynamics in silica. 纳米多孔性增强了二氧化硅中辐照诱导的动力学。
IF 5.8
Materials Advances Pub Date : 2026-06-23 eCollection Date: 2026-07-20 DOI: 10.1039/d6ma00606j
Francesco Dallari, Alessandro Martinelli, Jacopo C Baglioni, Yuriy Chushkin, Giulio Monaco
{"title":"Nanoporosity boosts irradiation-induced dynamics in silica.","authors":"Francesco Dallari, Alessandro Martinelli, Jacopo C Baglioni, Yuriy Chushkin, Giulio Monaco","doi":"10.1039/d6ma00606j","DOIUrl":"10.1039/d6ma00606j","url":null,"abstract":"<p><p>Hard X-ray irradiation can activate relaxations in glasses even at temperatures well below their glass transition temperature, yet the nature of the involved structural rearrangements remains poorly understood. Here we compare bulk amorphous SiO<sub>2</sub> with nanoporous silica to test how porosity and internal surfaces affect the radiation-induced structural and dynamical changes. In nanoporous silica, the intensity of the characteristic SiO<sub>2</sub> first sharp diffraction peak is reduced by irradiation as in the bulk counterpart, but on a time scale more than an order of magnitude faster. Despite this accelerated structural evolution, the induced atomic-scale dynamics in nanoporous silica remains predominantly ballistic-like and displays reproducible intermittent fluctuations. At the first sharp diffraction peak, both materials show compressed-exponential relaxations, with markedly shorter time scales and stronger fluctuations in presence of nanostructures. These results identify internal interfaces as a key factor controlling hard-X-ray-driven relaxation in nanoporous silica, suggesting a practical route to tune radiation sensitivity in nanostructured glasses.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" ","pages":"7301-7306"},"PeriodicalIF":5.8,"publicationDate":"2026-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13321716/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148376174","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}
引用次数: 0
Effects of gallium and clove oil embedded in porous phosphate coacervate glass fibres on wound healing. 镓和丁香油包埋在多孔磷酸盐凝聚玻璃纤维中对伤口愈合的影响。
IF 5.8
Materials Advances Pub Date : 2026-06-11 eCollection Date: 2026-07-20 DOI: 10.1039/d6ma00177g
Zarrin Moghaddam, Rahul Sanwlani, Pejman Ghaffari, Irem Unalan, James R G Adams, Roberto di Pasquale, Charlotte A Berry, Hongjuan Zhao, Monica Felipe-Sotelo, Aldo R Boccaccini, Armin Shavandi, Patrizia Camelliti, Daniela Carta
{"title":"Effects of gallium and clove oil embedded in porous phosphate coacervate glass fibres on wound healing.","authors":"Zarrin Moghaddam, Rahul Sanwlani, Pejman Ghaffari, Irem Unalan, James R G Adams, Roberto di Pasquale, Charlotte A Berry, Hongjuan Zhao, Monica Felipe-Sotelo, Aldo R Boccaccini, Armin Shavandi, Patrizia Camelliti, Daniela Carta","doi":"10.1039/d6ma00177g","DOIUrl":"10.1039/d6ma00177g","url":null,"abstract":"<p><p>This study investigates Ga-loaded porous phosphate glass fibres (PGFs) coated with clove oil (clv) (1.5 and 3 w/v%) as multifunctional materials capable of antioxidant, antibacterial, and wound-healing properties. PGFs were prepared <i>via</i> coacervation combined with supramolecular templating and electrospinning (ES). Porosity was induced <i>via</i> the removal of the surfactant cetyltrimethylammonium bromide (CTAB) used as a soft template. Scanning Electron Microscopy (SEM) revealed that the majority of porous PGFs have diameters ranging from ∼0.5 to 4 µm. PGFs around 1-4 µm have highly porous walls (pores ∼300 nm in diameter), whereas the smaller ones are hollow, with non-porous walls and perfectly round channels. Results have identified PGFs loaded with 1 mol% Ga<sub>2</sub>O<sub>3</sub> and 3 w/v% clv as ideal compositions, exhibiting the strongest radical scavenging (up to ∼70% DPPH, ∼53% ABTS), the highest inhibition of hydroxyl radicals (OH˙) (∼34% reduction) and the highest phenolic content (∼18 mg GAE/g). Reactive oxygen species (ROS) assays demonstrated that PGFs' dissolution products show a protective effect under oxidative stress by significantly reducing intracellular ROS levels while maintaining high keratinocyte (HaCaT) viability over 72 h. Similarly, in fibroblast-like (MC3T3-L1-E1), the same PGFs' dissolution products enhanced H<sub>2</sub>O<sub>2</sub> scavenging activity and improved cytocompatibility. Time-dependent MTS assays in HaCaTs demonstrated sustained cell viability over 72 h across two tested concentrations (5% and 10% v/v), with stable metabolic activity and no evidence of significant cytotoxicity. Antibacterial activity against <i>Escherichia coli</i> (<i>E. coli</i>) was confirmed by optical density (OD) measurements and colony-forming unit (CFU) analysis, which showed a significant reduction in viable bacteria for PGFs containing 1 mol% Ga<sub>2</sub>O<sub>3</sub> coated with 3 w/v%. This antibacterial effect is hypothesised to result from the release of Ga ions, while clv contributes mainly to the antioxidant activity. In contrast, PGFs' dissolution products, regardless of Ga and clv loading, did not exhibit a measurable antibacterial effect against <i>Staphylococcus aureus</i> (<i>S. aureus</i>). <i>In vitro</i> wound healing scratch assays showed that dissolution products from Ga- and clv-containing PGFs enhance cell migration, accelerating wound closure in both keratinocytes and fibroblasts. This work demonstrates the successful synthesis of porous PGFs by combining soft templating with the coacervation method and the enhanced beneficial properties of PGFs coated with a natural antioxidant, proving their potential for advanced wound-healing applications. Further <i>in vivo</i> studies will be required to confirm the <i>in vitro</i> potential.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" ","pages":"7127-7145"},"PeriodicalIF":5.8,"publicationDate":"2026-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13296919/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148345899","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}
引用次数: 0
Toward system-level energy density enhancement in solid oxide cells through 3D structural design 通过三维结构设计提高固体氧化物电池的系统级能量密度
IF 5.8
Materials Advances Pub Date : 2026-06-10 DOI: 10.1039/D6MA00393A
Jinsu Kim and Inyoung Jang
{"title":"Toward system-level energy density enhancement in solid oxide cells through 3D structural design","authors":"Jinsu Kim and Inyoung Jang","doi":"10.1039/D6MA00393A","DOIUrl":"https://doi.org/10.1039/D6MA00393A","url":null,"abstract":"<p >As the demand for clean energy systems rises with increasing electricity consumption, solid oxide cells (SOCs) emerge as one of the major energy conversion technologies owing to their high efficiency, fuel flexibility, and compatibility with hybrid systems. Such features position SOCs as promising energy conversion systems for stationary power generation and heavy-duty transportation. However, their broader deployment, particularly in aircraft, is constrained by limited system-level energy conversion density, since excessive mass and volume reduce propulsion efficiency and increase costs, highlighting the need for further improvements in overall system efficiency. While most prior efforts have focused on materials development to improve electrochemical performance, geometric optimization provides an alternative pathway to enhance volumetric and gravimetric power density without relying on new or high-cost material systems. Here, we present a structure-driven perspective that links three-dimensional (3D) SOC geometries to stack-level energy conversion efficiency, mass and volume efficiency, and overall system economics. By analyzing reported 3D geometries for SOCs, we highlight how increased surface-to-volume ratios and reduced stack-component mass fractions can substantially improve system-level energy conversion density while lowering cost metrics. This work shifts the focus of SOC advancement from a material-centric approach toward integrated structure–manufacturing–system design, positioning 3D structural strategies as scalable pathways toward high-energy-density, lightweight SOC systems.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 12","pages":" 5860-5867"},"PeriodicalIF":5.8,"publicationDate":"2026-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00393a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292102","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}
引用次数: 0
Gas-dependent plasma activation of a manganese MOF precatalyst tunes defect accessibility and reconstruction under alkaline HER conditions. 在碱性HER条件下,锰MOF预催化剂的气体依赖等离子体活化可调节缺陷的可及性和重建。
IF 5.8
Materials Advances Pub Date : 2026-06-08 eCollection Date: 2026-07-20 DOI: 10.1039/d6ma00128a
Constantin Eisen, Anna Strijevskaya, Monnaya Chalermnon, Youven Benseghir, Kevin Doppelmayer, Steven van Terwingen, Marc Pignitter, Michael R Reithofer, Jia Min Chin
{"title":"Gas-dependent plasma activation of a manganese MOF precatalyst tunes defect accessibility and reconstruction under alkaline HER conditions.","authors":"Constantin Eisen, Anna Strijevskaya, Monnaya Chalermnon, Youven Benseghir, Kevin Doppelmayer, Steven van Terwingen, Marc Pignitter, Michael R Reithofer, Jia Min Chin","doi":"10.1039/d6ma00128a","DOIUrl":"10.1039/d6ma00128a","url":null,"abstract":"<p><p>Plasma activation is a practical route to introduce defects in MOF-based electrocatalyst precursors, yet how different plasma environments influence defect formation and subsequent oxide evolution remains unclear. Here, manganese (Mn)-MOFs grown on nickel foam (NF) were treated with Ar, N<sub>2</sub>, and O<sub>2</sub> glow-discharge plasmas to establish how plasma chemistry governs MOF modification and HER performance. Ar plasma generates a higher population of accessible undercoordinated Mn sites with minimal chemical passivation, which correlates with a more favorable electrochemical reconstruction into a hydrated, layered Mn oxide phase under HER conditions. In contrast, N<sub>2</sub> and O<sub>2</sub> plasmas produce additional chemical alterations such as partial nitriding or oxidative linker damage that limited vacancy accessibility and suppressed oxide formation. Comprehensive characterization (PXRD, Raman, XPS, TGA, EPR, SEM) shows that these gas-dependent pathways correlate with the observed catalytic behaviour, with Ar-treated Mn-MOF/NF achieving the lowest overpotential (219 mV at 10 mA cm<sup>-2</sup>) and smallest charge-transfer resistance. These results provide a practical comparison of plasma treatments for activating Mn-MOF electrocatalyst precursors and highlight Ar plasma as an effective route to generate accessible defect sites for MOF catalysis.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" ","pages":"7307-7313"},"PeriodicalIF":5.8,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13321717/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148376230","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}
引用次数: 0
Robust and sustainable synthesis of Al-based MOFs form waste aluminium 从废铝中稳健和可持续地合成铝基mof
IF 5.8
Materials Advances Pub Date : 2026-06-08 DOI: 10.1039/D6MA00295A
Mason C. Lawrence, Robert S. Horne, Mackenzie L. Reid-Hall and Barry A. Blight
{"title":"Robust and sustainable synthesis of Al-based MOFs form waste aluminium","authors":"Mason C. Lawrence, Robert S. Horne, Mackenzie L. Reid-Hall and Barry A. Blight","doi":"10.1039/D6MA00295A","DOIUrl":"https://doi.org/10.1039/D6MA00295A","url":null,"abstract":"<p >Aluminium MOFs have gained researchers attention for their applications in gas sequestration, water harvesting, drug delivery and chemical storage. Current synthetic methods, however, rely on a variety of aluminium salts for synthesis of MOFs within the same family and are not the most efficient sources of aluminium. Herein, we demonstrate a robust synthetic pathway to MOFs CAU-9, CAU-10 (-NO<small><sub>2</sub></small>,-NH<small><sub>2</sub></small>,-N<small><sub>3</sub></small>), CAU-10-py, CAU-15, CAU-21, MIL-53(Al)-TCD, MOF-303 and Al-Fum from aluminium formate, a compound that we have previously synthesized from industrial aluminium waste. We replace commercial aluminium salts with sustainably sourced aluminium, reducing the amount of waste and harmful byproducts, all by using a common aluminium precursor.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 12","pages":" 5970-5973"},"PeriodicalIF":5.8,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00295a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292150","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}
引用次数: 0
Effects of anionic co-ligands and metal salts on the synthesis, solid-state structure and biological properties of mercury(ii) complexes based on phosphorus ylide ligands 阴离子共配体和金属盐对基于磷酰化配体的汞(ii)配合物的合成、固态结构和生物学特性的影响
IF 5.8
Materials Advances Pub Date : 2026-06-04 DOI: 10.1039/D6MA00010J
Sepideh Samiee, Habib Rashedi, Valiollah Nobakht, Hossein Motamedi, Robert W. Gable and Jan Janczak
{"title":"Effects of anionic co-ligands and metal salts on the synthesis, solid-state structure and biological properties of mercury(ii) complexes based on phosphorus ylide ligands","authors":"Sepideh Samiee, Habib Rashedi, Valiollah Nobakht, Hossein Motamedi, Robert W. Gable and Jan Janczak","doi":"10.1039/D6MA00010J","DOIUrl":"https://doi.org/10.1039/D6MA00010J","url":null,"abstract":"<p >Six new dimeric and polymeric mercury(<small>II</small>) complexes with compositions of [LHg(N<small><sub>3</sub></small>)(µ-Cl)]<small><sub>2</sub></small> (<strong>1</strong>), [LHg(Br)(µ-Br)]<small><sub>2</sub></small> (<strong>2</strong>), [LHg(I)(µ-I)]<small><sub>2</sub></small> (<strong>3</strong>), [LHg(SCN)(µ-Cl)]<small><sub>2</sub></small> (<strong>4a</strong>), [LHg(SCN)(µ-SCN)]<small><sub>2</sub></small> (<strong>4b</strong>) and [LHg(N<small><sub>3</sub></small>)(µ-N<small><sub>3</sub></small>)]<small><sub><em>n</em></sub></small> (<strong>5</strong>) (L = (4-bromobenzoyl)(triphenylphosphonio)methanide) have been synthesized and characterized using single-crystal X-ray diffraction, elemental analysis, and FT-IR and NMR spectroscopic studies. The reaction of mercury(<small>II</small>) chloride with L and excess sodium azide in methanol yields a dimeric chloride-bridged mercury–azide complex (<strong>1</strong>). In contrast, mercury(<small>II</small>) bromide and iodide form dimeric halide-bridged complexes (<strong>2</strong> and <strong>3</strong>), while mercury(<small>II</small>) acetate produces a polymeric mercury–azide complex (<strong>5</strong>). Dimeric mercury–thiocyanide complexes (<strong>4a</strong> and <strong>4b</strong>) are synthesized similarly to complex <strong>1</strong>, substituting KSCN for NaN<small><sub>3</sub></small>. The results indicate that, under identical reaction conditions, azide anions act as terminal ligands, while thiocyanate functions as both bridging and terminal ligands, demonstrating that the final structures of mercury(<small>II</small>) complexes of phosphorus ylides are influenced by the mercury(<small>II</small>) salts and pseudohalide co-ligands used. Furthermore, the biological features of the synthesized mercury(<small>II</small>) complexes and the influence of pseudohalide ions (N<small><sub>3</sub></small><small><sup>−</sup></small> and SCN<small><sup>−</sup></small>) on these features are discussed.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 12","pages":" 6343-6358"},"PeriodicalIF":5.8,"publicationDate":"2026-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00010j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292112","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}
引用次数: 0
Large-scale tubular protonic ceramic electrolysis cells made by injection molding 注射成型的大型管状质子陶瓷电解电池
IF 5.8
Materials Advances Pub Date : 2026-06-04 DOI: 10.1039/D6MA00171H
You-Dong Kim, Javishk Shah, Christopher Schiller, Ryan O’Hayre and Sandrine Ricote
{"title":"Large-scale tubular protonic ceramic electrolysis cells made by injection molding","authors":"You-Dong Kim, Javishk Shah, Christopher Schiller, Ryan O’Hayre and Sandrine Ricote","doi":"10.1039/D6MA00171H","DOIUrl":"https://doi.org/10.1039/D6MA00171H","url":null,"abstract":"<p >Protonic ceramic electrochemical cells (PCCs) are potential candidates for efficient hydrogen production at intermediate temperature (∼400–600 °C). However, their development has been limited to the laboratory scale. Here, we report the first demonstration of large-scale tubular PCCs <em>via</em> ceramic injection molding. NiO-BaCe<small><sub>0.7</sub></small>Zr<small><sub>0.1</sub></small>Y<small><sub>0.1</sub></small>Yb<small><sub>0.1</sub></small>O<small><sub>3-d</sub></small> (BCZYYb7111) closed-end negatrode supports are injection-molded into uniform, straight tubes with a diameter of 1.5 cm and lengths up to 17.5 cm; the BCZYYb7111 electrolyte is then dip-coated and co-sintered. Microstructural analysis confirms homogeneous phase distribution, well-controlled porosity in the reduced negatrode, and a high-quality, dense, and crack-free electrolyte with exceptionally large grain size (∼50 µm) and thicknesses between 24 and 30 µm. Under electrolysis operation, these tubes achieve current densities up to 400 mA cm<small><sup>−2</sup></small> at 1.3 V and 650 °C. Stable operation for 50 hours at 250 mA cm<small><sup>−2</sup></small> and 550 °C is also demonstrated.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 12","pages":" 6029-6034"},"PeriodicalIF":5.8,"publicationDate":"2026-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00171h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292155","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}
引用次数: 0
Unlocking the potential of a novel 2D VBC and a VBC/graphene heterostructure as efficient hosts for Li-ion batteries 揭示了新型二维VBC和VBC/石墨烯异质结构作为锂离子电池高效宿主的潜力
IF 5.8
Materials Advances Pub Date : 2026-06-02 DOI: 10.1039/D6MA00263C
Liaqat Ali, Javed Rehman and Chong-Wen Zhou
{"title":"Unlocking the potential of a novel 2D VBC and a VBC/graphene heterostructure as efficient hosts for Li-ion batteries","authors":"Liaqat Ali, Javed Rehman and Chong-Wen Zhou","doi":"10.1039/D6MA00263C","DOIUrl":"https://doi.org/10.1039/D6MA00263C","url":null,"abstract":"<p >In this work, we employ first-principles calculations to predict the potential of a two-dimensional (2D) vanadium borocarbide (VBC) monolayer and a VBC/graphene heterostructure as promising anode materials for lithium-ion batteries (LIBs). This work introduces ternary 2D VBC and VBC/graphene heterostructures as a novel class of materials, integrating boron to provide mechanical robustness and carbon to ensure high electrical conductivity. This unique composition yields a synergistic combination of record-high capacity, metallic conductivity, and negligible volume expansion due to the graphene layer. The VBC monolayer and the VBC/graphene heterostructure are thermodynamically, mechanically, and dynamically stable, confirming their feasibility for experimental realization. Notably, the metallic nature of both systems is advantageous for facilitating rapid electronic transport during battery cycling. Remarkably, the VBC monolayer and the VBC/graphene heterostructure exhibit ultrahigh theoretical specific capacities of 1453.36 mAh g<small><sup>−1</sup></small> and 820.60 mAh g<small><sup>−1</sup></small>, respectively, which significantly surpass those of conventional graphite anodes. Furthermore, the low average open-circuit voltages of 0.45 V for the VBC monolayer and 0.68 V for the heterostructure ensure energy efficiency, while the low Li-ion diffusion barriers of 0.22 eV and 0.31 eV, respectively, indicate excellent ionic mobility and rapid charge–discharge kinetics. Lattice variation during maximum lithiation is small (2.57% for the VBC monolayer and 2.88% for the VBC/graphene heterostructure), confirming the robustness of the frameworks against volume expansion. Bader analysis shows strong charge transfer from Li to the VBC host, validating strong electrochemical interactions and a reversible lithiation process. These outstanding characteristics establish the VBC monolayer and the VBC/graphene heterostructure as highly promising candidates for next-generation high-performance LIBs.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 12","pages":" 6297-6309"},"PeriodicalIF":5.8,"publicationDate":"2026-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ma/d6ma00263c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292108","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}
引用次数: 0
Hydrophobic block-structured PDMS/Pt mesoporous silica catalysts for sustainable water–hydrogen isotope exchange 疏水块结构PDMS/Pt介孔二氧化硅催化剂的可持续水-氢同位素交换
IF 5.8
Materials Advances Pub Date : 2026-06-01 DOI: 10.1039/D6MA00202A
Daeuk Kang, Huiryung Heo, Euna Jeong, Hee-Man Yang, Dong-Yeun Koh, Chan Woo Park and Hyung-Ju Kim
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