Materials Advances最新文献

In response to the growing interest in multifunctional materials for energy conversion devices, CuBiSeCl₂ is systematically investigated as a quaternary halide chalcogenide with significant potential for both optoelectronic and thermoelectric applications. Utilizing density functional theory (DFT) and the semiclassical Boltzmann transport theory-based full-potential linearized augmented plane wave (FP-LAPW) technique, this study investigates the electronic, thermoelectric, optical and mechanical properties of CuBiSeCl₂. Structural optimization shows that the material crystallizes in an orthorhombic phase and the calculated elastic constants meet the Born stability criterion. Electronic calculations show that there is a direct band gap of about 0.737 eV at the high-symmetry Γ point. In contrast, anisotropy in the optical response shows that the crystal has a layered structure. The optical response also demonstrates strong absorption in the visible and UV range with a high refractive index, and a dielectric response, where the absorption spectrum is initiated near ∼0.8 eV and exceeds 1.5 × 10⁵ cm⁻¹ above 2 eV, highlighting its potential as an efficient light-harvesting material. Thermoelectric investigations indicate that CuBiSeCl₂ exhibits promising performance, where the Seebeck coefficient and electrical conductivity go up from 300 K to 600 K, which brings zT up to about 0.52. In contrast, zT reaches around 0.88 for temperatures ranging from 600 K to 900 K. However, calculated mechanical properties, such as bulk and shear moduli, show that CuBiSeCl₂is moderately stiff, while the Poisson ratio (0.304) and Pugh ratio (2.215) indicate its mechanical stability with moderate ductility. The average speed of sound is 2449.28 m s⁻¹, and the elastic Debye temperature is ∼257 K. Overall, these results show that CuBiSeCl₂ is a material with high potential for sustainable energy harvesting and conversion technologies.

Sodium-ion batteries have emerged as the most promising alternative to lithium-ion batteries due to the advantages of high natural abundance, low cost, environmental friendliness, and retention of charge capacity at low temperatures. However, novel anode and cathode materials need to be developed. In this work, Sandia octahedral molecular sieves – a class of ion exchangers with the general formula, Na₂Nb_2−xM^IV_xO_6−x(OH)_x·H₂O (M = Ti, Zr; x = 0.04–0.40) – are introduced as novel anode materials for sodium-ion battery applications. In this study, sodium niobium titanium oxide, Na₂Nb_1.6Ti_0.4O_5.6(OH)_0.4·H₂O (Na-NTO), is prepared by a simple hydrothermal method, followed by exchange of the Na⁺ ion in the SOMS structure by one of the eleven selected divalent or monovalent cations, after which the electrochemical properties of the ion-exchanged SOMS materials are investigated and compared with those of the unexchanged SOMS material. Exchanging sodium for divalent zinc delivered an enhanced specific capacity (196 mAh g⁻¹ at 10 mA g⁻¹vs. 89 mAh g⁻¹ for Na-NTO) at every current density, whereas exchange for cadmium delivered a high capacity retention of 72% at 50 mA g⁻¹ after 100 cycles. The enhanced electrochemical performance is related to their lower ionic radii (compared to Na⁺), higher selectivity, optimal pore size and higher Na⁺-ion diffusion coefficient. While the performances of the materials investigated here are comparatively low, the present work provides an in-depth study of the effect of partial ion-replacement on electrochemical performance.

Phosphate compounds are promising for next-generation optoelectronic and electronic applications due to their versatile structures and properties. In this work, NaCaP₃O₉ (NCPO) ceramics were synthesized by a conventional solid-state method and crystallize in a pure triclinic phase (space group P), as confirmed by XRD and structural refinement. FTIR analysis verified the structural integrity through characteristic vibrational modes. Optical studies revealed a wide direct band gap of about 3.95 eV, highlighting the suitability of NCPO for ultraviolet optoelectronic applications. Dielectric and electrical investigations over wide temperature and frequency ranges demonstrated semiconducting behavior with a negative temperature coefficient of resistance. Impedance and electric modulus analyses indicated grain-dominated conduction and non-Debye relaxation behavior. The frequency-dependent conductivity follows Jonscher's law, and charge transport is governed by a thermally activated correlated barrier hopping mechanism with an activation energy of ∼0.36 eV. The estimated thermal sensitivity constant (β ≈ 3597 K) and low stability factor (SF ≈ 1.5) suggest strong thermistor performance and stable electrical properties. Overall, this study enhances the understanding of the electrical and dielectric behavior of NCPO and underscores its potential for advanced thermistor, sensor, and optoelectronic device technologies.

Herein, we report on the stabilization of nanostructured Si/graphite based anodes for Li-ion batteries (LIB) with titanicone against capacity fade and solid electrolyte interphase (SEI) formation. Nanostructured Si powders were first prepared by optimized and tailored Metal Assisted Catalytic Etching (MACE) of p-type Si wafers. These nanopowders were subsequently coated with titanicone thin films using molecular layer deposition (MLD) and extensively characterized in reference to uncoated nanopowders. The LIB anode slurry was prepared by blending 18 wt% uncoated or titanicone-coated Si nanopowder with graphite. The electrochemical performance of the anode containing coated Si was benchmarked against a corresponding electrode containing uncoated Si nanopowder. The titanicone-coated anode exhibited less reduction of the original capacity upon long-term cycling than the anode composed of graphite and uncoated Si nanopowder (51.1% versus 89.1%). The titanicone-coated Si anode also exhibited higher electrochemical activity during cyclic voltammetry measurements. The results demonstrate the power of ultrathin metalcone – in particular, titanicone – coatings for the improvement of the capacity and cyclability of Si/graphite based anodes.

Water contamination by persistent dyes and antibiotics is a major environmental concern. Here, a DyCrO₃/MoS₂ S-scheme heterojunction photocatalyst was synthesized via a simple hydrothermal method to enhance solar-light-driven degradation efficiency. Structural and electronic analyses (XRD, FESEM, TEM, XPS, UV-vis, PL, Mott–Schottky) confirm well-dispersed MoS₂ nanosheets, oxygen vacancies, improved visible-light absorption, and favorable band alignment. MoS₂ incorporation reduced the band gap from 2.14 to 1.72 eV and prevented DyCrO₃ aggregation, yielding particles of 28 ± 7 to 32 ± 12 nm. The optimized DyCrO₃–MoS₂ (85% : 15%) composite (10 mg) degraded 84.95% of levofloxacin and 78.97% of methylene blue within 240 min, with apparent quantum yields of 37.88% and 39.59%, respectively, and strong cycle stability. Active-species trapping identified photogenerated holes as the dominant oxidants, supporting an S-scheme mechanism. These results demonstrate that MoS₂-engineered DyCrO₃ nanostructures provide an efficient and durable platform for solar-driven wastewater purification.

Nature offers exquisite examples of superhydrophobicity, yet replicating their intricate geometries remains challenging with conventional manufacturing techniques. In this study, bioinspired intricate surface geometries were fabricated using additive manufacturing with flame spraying to impart nano-scale hierarchical roughness essential for sustained de-wetting performance. The complex geometries inspired from different superhydrophobic surfaces such as a lotus leaf, taro leaf, springtail, and butterfly wings were created on 17-4 PH stainless steel using powder bed fusion. Furthermore, the additive textures were adorned with micro-nano roughness generated through aluminium flame spraying. The influence of surface geometry on de-wetting, durability, corrosion, and drag reduction behaviour was studied. Post-silanization, the lotus-inspired flame-sprayed (LFS) sample morphology exhibited superior de-wetting properties, with dynamic contact angles of 158° and 156°, and a low sliding angle of 5°. This sample demonstrated high mechanical durability by maintaining superhydrophobicity for more than 6000 abrasion cycles at 5 kPa, with the unique trait of self-regeneration. Additionally, it resisted liquid impact for over 120 minutes in simulated rain at 4 m s⁻¹ and displayed a low corrosion current density of 0.3 µA cm⁻², indicating improved corrosion resistance. The coating demonstrated superior drag reduction for water, and low surface tension for liquids and oil, with drag 21 times lower than substrate for water. This study advances the practical applicability of superhydrophobic coatings and bridges the gap between lab-made prototypes and scalable industrial applications with high durability accompanied by superior anti-drag and anti-corrosion characteristics.

Heavy metal contamination in water systems leads to critical environmental and health challenges, necessitating sustainable remediation technologies. This study presents a unique approach utilising arecanut organic residue, an abundant agricultural waste, for the removal of lead from water. A bioadsorbent composite film was synthesised using chitosan–polyvinyl alcohol (PVA) incorporated with arecanut organic residue by solvent casting. The physicochemical properties of the films were characterised by XRD, FTIR, optical profilometry, BET surface area and SEM analyses. The adsorption efficiency of the synthesised films was tested by examining the removal of Pb(II) from water. The bioadsorbent films demonstrated a Pb(II) removal efficiency of 94.6% from 5 ppm solutions at pH 6 within 60 minutes at 70 °C using 0.5 g of the film. Optimisation studies revealed the critical role of functional group availability and film porosity of the polymer blends, along with experimental conditions that enhanced the adsorption capacity. Kinetic studies also confirmed the results obtained from the optimisation studies. The adsorption kinetics followed a pseudo-second-order model, and isotherm analysis confirmed Langmuir-type adsorption. The sustainable bioadsorbent exhibited good reusability, maintaining performance over multiple cycles.

Correction for ‘Advanced 2D MoS₂–chitosan nanocomposites for ultra-sensitive and selective dopamine detection’ by Ratiba Wali et al., Mater. Adv., 2025, 6, 6038–6051, https://doi.org/10.1039/D5MA00133A.

We report a comprehensive experimental and theoretical investigation of the electrical transport properties in Pr_0.8K_0.2−xNa_xMnO₃ (x = 0.0, 0.05, and 0.1) compounds synthesized via the sol–gel route. Temperature-dependent resistivity measurements revealed a robust and composition-independent metal–semiconductor transition (T_M–SC ≈ 160 K), an uncommon behavior for chemically substituted manganites. The transport characteristics were quantitatively examined using multiple conduction frameworks, including percolation theory, small-polaron hopping (SPH), and Mott variable-range hopping (VRH). These approaches enabled the extraction of activation energies, hopping exponents, charge-carrier localization parameters, and disorder-related scaling factors. Among the tested models, percolation theory yielded the most consistent description of the semiconducting regime across all samples. Temperature coefficient of resistance (TCR) values, calculated within phase-separation and phase-coexistence transport schemes, exhibited pronounced enhancement in the 180–200 K interval. The combined modeling-driven analysis demonstrated that Na substitution substantially modulated the intrinsic electronic transport parameters—even while preserving a fixed transition temperature—establishing these compositions as promising candidates for high-performance uncooled bolometric infrared sensing.

Designing an efficient photocatalytic system that achieves a broad visible-light absorption window and a minimal recombination rate has been challenging. In this work, we have depicted UiO-66-NH₂/BiOI@α-Bi₂O₃ ternary heterostructures’ (BBUN) fabrication via a simple solvothermal approach. FESEM and TEM studies revealed that BBUN-4 consists of UiO-66-NH₂ (UN) nanoparticles, BiOI microspheres (BM), and in situ derived α-Bi₂O₃ nanorods (BR). The morphology of BM and BR was manipulated by varying the BM and N,N-dimethylformamide (DMF) ratio. It was observed that BM microspheres and BR nanorods were obtained when the BM : DMF ratio was maintained at 7.5 : 1. Besides, the interaction of DMF incorporated abundant oxygen vacancies (O_v) in BM and BR. The introduction of abundant oxygen vacancies (O_v) markedly broadened the light absorption edge up to 665 nm. The existence of an O_v–Bi–N interfacial charge transport channel momentously improved the charge transfer and separation rate, as evidenced from PL, EIS, and LSV studies. XPS results, Mott–Schottky analysis, and scavenging tests collectively corroborated the formation of a double Z-scheme BBUN heterojunction. The photocatalytic CR degradation rate for BBUN-4 was determined to be 3.05 and 3.43 times greater than that of pristine UN and BM, respectively. BBUN-4 exhibited H₂O₂ production of 322 µmol L⁻¹, whereas that obtained over BM and UN was only 127 and 164 µmol L⁻¹, respectively.