Analyzing the structural, optoelectronic, and thermoelectric properties of InGeX3 (X = Br) perovskites via DFT computations.

The Electronic and optical properties of InGeX3(X = Cl, Br) were examined by adopting the density functional theory (DFT) approach. We applied the GGA + Trans-Blaha modified Becke-Johnson (TB-mBJ) technique to acquire the precise bandgap of 1.52 and 0.98 eV of the compounds InGeX3(X = Cl, Br) respectively which suggests the direct bandgap at (M-M). The stability of the material is confirmed by the formation energy (- 2.83 = Cl; - 2.35 = Br) and Mechanical stability. Primarily elastic constants were extracted for each of the materials under scrutiny, and these values then served to gauge all of the materials' mechanical properties. The assessed Poisson's and Pugh's ratios for the materials InGeCl3 and InGeBr3 were verified to identify the degree of ductility. The quasi-harmonic Debye model additionally covers the temperature and pressure dependence on thermodynamic parameters, particularly volume, specific heat capacity (Cv) at constant volume, and the Gruneisen parameter (γ) in the range of 0-800 K and 0-5 GPa. It is anticipated that InGeCl3 and InGeBr3 will have static dielectric constants of 4.01 and 5.74, respectively. InGeX3(X = Cl, Br) also reveals significant absorption in the high UV spectrum. The thermoelectric properties have also been calculated vdata-element-id="9QNfR3VHbcMHX_W0fJCYp" data-element-type="html" style="display: initial; visibility: initial; opacity: initial; clip-path: initial; position: relative; float: left; top: 0px; left: 0px; z-index: 1 !important; pointer-events: none;" />ia boltztrap2 code using a k mesh of around 1,50,000 points.

Cell-Membrane-Inspired Ultrathin Silica Nanochannels Coating for Long-Term Stable Photoelectrocatalysis with Enhanced Performance.

Photoelectrocatalysis has attracted significant attention for water splitting and contaminant degradation. However, the lifetime of photoelectrocatalysis devices is hampered by the severe instability and photocorrosion of the photo-active nanomaterial on the photoelectrode, which is a key limitation to realizing industrialization. Typically, the conventional protection strategy of photoelectrodes usually suffers from the trade-off between the photoelectrocatalytic activity and stability. Inspired by biological cell membrane with water channels, here a highly permeable and ultrathin silica coating with ultrasmall straight nanochannels is in situ grown that stabilizes the photoelectrode. These ultrasmall channels boost photoelectrocatalysis by accelerating water transport and reducing the reaction energy within the confined nanochannels. Specifically, the ultrathin coating imparts significant mechanical and structural stability to the photo-active nanomaterial, thereby preventing its detachment, dissolution, and crystal damage without compromising performance. As a result, the protected photoelectrode exhibits enhanced water splitting activity and excellent stability over 120 h, whereas the photocurrent of the unprotected photoelectrode degrades rapidly. Meanwhile, the coated photoelectrode also exhibits superior photoelectrocatalytic degradation efficiency (>97%), even after the 10th cycle. This strategy is facile and universal and can be extended to construct other stable and high-performance electrodes for promoting photoelectrocatalysis in practical applications.

Mechanical and Ionic Characterization for Organic Semiconductor-Incorporated Perovskites for Stable 2D/3D Heterostructure Perovskite Solar Cells.

Hybrid metal halide perovskite (MHP) materials, while being promising for photovoltaic technology, also encounter challenges related to material stability. Combining 2D MHPs with 3D MHPs offers a viable solution, yet there is a gap in the understanding of the stability among various 2D materials. The mechanical, ionic, and environmental stability of various 2D MHP ligands are reported, and an improvement with the use of a quater-thiophene-based organic cation (4TmI) that forms an organic-semiconductor incorporated MHP structure is demonstrated. It is shown that the best balance of mechanical robustness, environmental stability, ion activation energy, and reduced mobile ion concentration under accelerated aging is achieved with the usage of 4TmI. It is believed that by addressing mechanical and ion-based degradation modes using this built-in barrier concept with a material system that also shows improvements in charge extraction and device performance, MHP solar devices can be designed for both reliability and efficiency.

All-Cellulose-based flexible Zinc-Ion battery enabled by waste pomelo peel.

Aqueous zinc-ion batteries are attracting extensive attention due to the long-term service life and credible safety as well as the superior price performance between the low cost of manufacture and high energy density. The fabrication of inexpensive, high-performance flexible solid-state zinc-ion batteries, thus, are urgently need for the blooming wearable electronics. Herein, as a proof-of-concept study of waste into wealth, cellulose flakes derived from waste pomelo peel are utilized as the substrate for electrodes and hydrogel electrolytes into a flexible rocking-chair zinc-ion battery. The unique sandwich-type structure holding the flake-like cellulose substrate and linear carbon nanotubes endows the flexible cathode and anode with fast ion and electron transportation. The obtained cellulose-based hydrogel electrolytes on account of special affinity with aqueous ZnSO4 electrolyte output an excellent ionic conductivity. The assembled flexible rocking-chair zinc-ion battery benefitting from the synergistic effect of sandwich-type electrodes and cellulose-based hydrogel electrolytes demonstrates outstanding electrochemical performance and mechanical properties. This work not only puts up an effective roadmap for flexible battery devices, but also reveals the great potential of waste biomass materials in energy storage applications.

High Sensitivity X-Ray Detectors with Low Degradation Based on Deuterated Halide Perovskite Single Crystals.

Methylammonium lead single crystal (MAPbI3 SC) possesses superior optoelectronic properties and low manufacturing cost, making it an ideal candidate for X-ray detection. However, the ionic migration of the perovskites usually leads to instability, dark current drift, and hysteresis of the detector, limiting their applications in well-established technologies. Here, a series of X-ray detectors of MAPbI3 SCs are reported with different degrees of deuteration (DxMAPbI3, x = 0, 0.15, 0.75, 0.99). By controlling the content of deuterium (D) in organic cations, the sensitivity, detection limits, ion migration, and resistivity of the detector can be controlled, thereby improving its performance. Due to stronger hydrogen bonds (N─D···I), the ion activation energy significantly increases to 886 meV. Consequently, the D0.99MAPbI3 SC detector shows more than five-fold enhancement, achieving a record-high mobility-lifetime (µτ) product of 5.39 × 10-2 cm2 V-1, with an ultrahigh sensitivity of 2.18 × 106 µC Gy-1 cm-2 under 120 keV hard X-ray and a low detection limit of 4.8 nGyair s-1, as well as long-term stability. The study provides a straightforward strategy for constructing ultrasensitive X-ray detection and imaging systems based on perovskite SCs.

A Novel Sulfonated Polyimide Composite Membrane Containing a Sulfonated Porous Material for All-Vanadium Redox Flow Batteries.

To improve the battery efficiency and cycling stability of sulfonated polyimide (SPI), a polyphosphazene with built-in -SO3H moieties (PP-SO3H), which is a porous covalent organic framework (COF) material, is facilely synthesized by the polymeric combination of hexachlorocyclotriphosphazene (HCCP) and p-diaminobenzenesulfonic acid. Due to its tunable pore size and flexible molecular design, the COF material can address the trade-off between the conductivity and the ion permeability of ion exchange membranes well, thereby improving the ion selectivity of membranes. The experimental results show that the SPI/PP-SO3H composite membrane has an excellent conductivity (up to 114.8 mS cm-1); the ion selectivity of the SPI/2% PP-SO3H membrane is 11.69 × 104 S min cm-3, which is 2.18 times higher than that of the SPI base membrane. PP-SO3H also improves the SPI membrane's mechanical strength, and the effect of PP-SO3H on SPI intermolecular interactions is analyzed by surface electrostatic potential (ESP) theoretical calculations. The Coulombic efficiency (CE) of the SPI/2% PP-SO3H membrane is 98.92%, the energy efficiency (EE) is 84.1% at a current density of 100 mA cm-2, and the self-discharge time of the SPI/2% PP-SO3H membrane is 3.5 times compared with the SPI base membrane. To measure the cycling stability of the composite membrane, the SPI/2% PP-SO3H membrane is cycled in the VRFB for more than 400 cycles, which is more stable than that of the SPI base membrane. These results show that SPI/2% PP-SO3H composite membranes are viable for VRFB applications.

A brief review of microstructure design in transition metal-based magnetocaloric materials.

Magnetic cooling, a solid-state refrigeration technology based on the magnetocaloric effect, has attracted significant attention in space cooling due to its high energy-efficiency and environmental friendliness. Transition metal-based magnetocaloric materials (MCMs) with the merit of low-cost have emerged as promising candidates for efficient magnetic refrigeration applications. This review explores the intricate relationship between microstructure and multiple properties (e.g. magnetocaloric properties, mechanical stability, thermal conductivity, and functional reversibility) of these materials. A variety of microstructural manipulation approaches (e.g. crystallographic texture, precipitates, micropores, atomic-scale defects, size effect, and composites) are examined for their effects on the comprehensive performance of MCMs. We show that microstructure design provides an effective tool to achieve excellent performance in multiple aspects, which may facilitate the commercialization of transition-metal based MCMs.

Unveiling the Stability Mechanism of Oriented Ni-Rich Layered Oxides.

Single-crystal and polycrystalline structures are the two main structural forms of the Ni-rich layered cathode for lithium-ion batteries. The structural difference is closely related to the electrochemical performance and thermal stability, but its internal mechanism is unclear and is worthy of further exploration. In this study, both polycrystalline and single-crystal LiNi0.83Co0.12Mn0.05O2 cathodes were prepared by adjusting the calcination temperature and mechanical post-treatment, respectively. Systematic comparisons were made to assess the effects of different grain structures on the electrochemical performance and thermal stability. The study revealed the superior thermal stability of monocrystalline cathodes, attributing it to oxygen vacancies and phase transitions. From the perspective of grain boundaries, it was demonstrated that the diffusion of oxygen vacancies and the reduction of Ni in polycrystalline cathodes exhibit anisotropy. This research elucidates the origins of the superior thermal stability of monocrystalline cathodes in lithium-ion batteries, providing valuable insights into battery material design.

Integrating High-Performance Flexible Wires with Strain Sensors for Wearable Human Motion Detection.

Flexible electronics have revolutionized the field by overcoming the rigid limitations of traditional devices, offering superior flexibility and adaptability. Conductive ink performance is crucial, directly impacting the stability of flexible electronics. While metal filler-based inks exhibit excellent conductivity, they often lack mechanical stability. To address this challenge, we present a novel conductive ink utilizing a ternary composite filler system: liquid metal and two micron-sized silver morphologies (particles and flakes). We systematically investigated the influence of filler type, mass ratio, and sintering process parameters on the composite ink's conductivity and mechanical stability. Our results demonstrate that flexible wires fabricated with the liquid metal/micron silver particle/micron silver flake composite filler exhibit remarkable conductivity and exceptional bending stability. Interestingly, increasing the liquid metal content results in a trade-off, compromising conductivity while enhancing mechanical performance. After enduring 5000 bending cycles, the resistance change in wires formulated with a 4:1 mass ratio of micron silver particles to flakes is only half that of wires with a 1:1 ratio. This study further investigates the mechanism governing resistance variations during flexible wire bending. Additionally, we observed a positive correlation between sintering temperature and pressure with the conductivity of flexible wires. The significance of the sintering parameters on conductivity follows a descending order: sintering temperature, sintering pressure, and sintering time. Finally, we demonstrate the practical application of this technology by integrating the composite ink-based flexible wires with conductive polymer-based strain sensors. This combination successfully achieved the detection of human movements, including finger and wrist bending.

Ab Initio Studies of Mechanical, Dynamical, and Thermodynamic Properties of Fe-Pt Alloys.

The density functional theory (DFT) framework in the generalized gradient approximation (GGA) was employed to study the mechanical, dynamical, and thermodynamic properties of the ordered bimetallic Fe-Pt alloys with stoichiometric structures Fe3Pt, FePt, and FePt3. These alloys exhibit remarkable magnetic properties, high coercivity, excellent chemical stability, high magnetization, and corrosion resistance, making them potential candidates for application in high-density magnetic storage devices, magnetic recording media, and spintronic devices. The calculations of elastic constants showed that all the considered Fe-Pt alloys satisfy the Born necessary conditions for mechanical stability. Calculations on macroscopic elastic moduli showed that Fe-Pt alloys are ductile and characterized by greater resistance to deformation and volume change under external shearing forces. Furthermore, Fe-Pt alloys exhibit significant anisotropy due to variations in elastic constants and deviation of the universal anisotropy index value from zero. The equiatomic FePt showed dynamical stability, while the others showed softening of soft modes along high symmetry lines in the Brillouin zone. Moreover, from the phonon densities of states, we observed that Fe atomic vibrations are dominant at higher frequencies in Fe-rich compositions, while Pt vibrations are prevalent in Pt-rich.

Brillouin Biosensing of Viscoelasticity across Phase Transitions in Ovine Cornea.

Noninvasive in situ monitoring of viscoelastic characteristics of corneal tissue at elevated temperatures is pivotal for mechanical property-informed refractive surgery techniques, including thermokeratoplasty and photorefractive keratectomy, requiring precise thermal modifications of the corneal structure during these surgical procedures. This study harnesses Brillouin light scattering spectroscopy as a biosensing platform to noninvasively probe the viscoelastic properties of ovine corneas across a temperature range of 25-64 °C. By submerging the tissue samples in silicone oil, consistent hydration and immiscibility are maintained, allowing for their accurate sensing of temperature-dependent mechanical behaviors. We identify significant phase transitions in the corneal tissue, particularly beyond 40 °C, likely due to collagen unfolding, marking the beginning of thermal destabilization. A subsequent transition, observed beyond 60 °C, correlates with collagen denaturation. These phase transformations highlight the cornea's sensitivity to both physiologically reversible and irreversible viscoelastic changes induced by mild to high temperatures. Our findings underscore the potential of the Brillouin biosensing technique for real-time diagnostics of corneal biomechanics during refractive surgeries to attain optimized therapeutic outcomes.

First principles insight into the study of the structural, stability, and optoelectronic properties of alkali-based single halide perovskite ZSnCl3 (Z = Na/K) materials for photovoltaic applications.

Metal halide perovskites are crystalline materials with a sharp increase in popularity and rapidly becoming a major contender for optoelectronic device applications. In this work, we provide the optoelectronic features of a possible novel candidate, ZSnCl3 (Z = Na/K) Sn-based on a detailed numerical simulation. The output of the current computations is compared to the results that are currently available, and a respectable agreement is noted. The studied compounds were cubic in nature and structurally stabe. The mechanical properties reflect the mechanical stability and ductility of the proposed materials. The Sn-based single perovskite compounds proposed in this study are mechanically stable and ductile. The narrow direct band gap for NaSnCl3 and KSnCl3 are 1.36 eV and 1.47 eV, respectively, using the HSE06 hybrid function with the Boltztrp2 integrated in Quantum ESPRESSO (QE) software. The effective use of these compounds in perovskite solar cells and other optoelectronic applications was confirmed by optical absorption spectral measurements conducted in the photon energy range of 0-20 eV.

Poly(ethylene) Oxide Electrolytes for All-Solid-State Lithium Batteries Using Microsized Silicon/Carbon Anodes with Enhanced Rate Capability and Cyclability.

Silicon (Si) has been widely studied as one of the promising anodes for lithium-ion batteries (LIBs) because of its ultrahigh theoretical specific capacity and low working voltage. However, the poor interfacial stability of silicon against conventional liquid electrolytes has largely impeded its practical use. Therefore, the combination of silicon-based anodes and solid electrolytes has attracted a great deal of attention in recent years. Here, we demonstrate three types of microsized porous silicon/carbon (Si/C) electrodes (i.e., pristine, prelithiated by liquid electrolyte, and preinfiltrated by polymer electrolyte) that are paired with poly(ethylene) oxide (PEO)-based electrolytes for all-solid-state lithium batteries (ASSLBs). We found that when compared with ionic conductivity, the mechanical stability of the PEO electrolyte dominates the electrochemical performance of ASSLBs using Si/C electrodes at elevated temperature. Additionally, both prelithiated and preinfiltrated Si/C electrodes show higher specific capacity in comparison to the pristine electrode, which is attributed to continuous lithium-ion conducting pathways within the electrode and thus improved utilization of active material. Moreover, owing to good interfacial lithium-ion transport in the electrode, a solid-state half-cell with preinfiltrated Si/C electrode and PEO-lithium bis (trifluoromethanesulfonyl)imide electrolyte delivers a specific capacity of ∼1,000 mAh g-1 after 100 cycles under 800 mA g-1 at 60 °C with average Coulombic efficiency >98.9%. This work provides a strategy for rationally designing the microstructure of silicon-based electrodes with solid electrolytes for high-performance all-solid-state lithium batteries.

Development of Versatile, thermally stable, flexible, UV-resistant and antibacterial polyvinyl alcohol-Nanodiamonds composite for efficient food packaging.

This research paper reports an enhancement of thermal, optical, mechanical and antibacterial activities of the Polyvinyl alcohol-Nanodiamonds (PVA-NDs) composite required for the food packaging industry. The synthesis of composites was done by the wet processing method. The large surface area of NDs facilitated the robust interaction between the hydroxyl group and macromolecular chains of PVA to enhance the hydrogen bonding of PVA with NDs rather than PVA molecules. Thus, a reduction in PVA diffraction peak intensity was reported. NDs improved the thermal stability by preventing the out-diffusion of volatile decomposition products of PVA. The results also revealed an enhancement in tensile strength (∼60 MPa) and ductility (∼180 %). PVA-NDs composite efficiently blocked the UVC (100 %), most of the part of the UVB (∼85 % above 300 nm), and UVA (∼58 %). Furthermore, enhanced antibacterial activities were reported for PVA-NDs composite against E. coli and S. aureus. NDs accumulated around the bacterial cells prevented essential cellular functions and led to death. Hence, this composite could be a promising candidate for safe, thermally stable, strong, flexible, transparent, UV- resistant antibacterial food packaging material.

Enhanced mechanical and surface chemical stability in cobalt-free, high-nickel cathode materials for lithium-ion batteries.

Cobalt-free, high-nickel cathode materials are essential for the sustainable evolution of energy storage technologies, reducing the dependence on resources with significant environmental and social implications and simultaneously improving the efficiency and cost effectiveness of batteries. This paper introduces a cobalt-free, high-nickel cathode material called 0.01B-LiNi0.98Mg0.01Zr0.01O2 (NMZB) developed using a novel blend of elements to enhance mechanical and surface chemical stability. Detailed evaluations confirmed the successful integration of Mg, Zr, and B into the particles, with Mg and Zr primarily located within the particle interior and B predominantly on the surface. This unique elemental configuration significantly improves the stability of the bulk phase and surface structure of the material. In addition, the refinement of primary particles within NMZB further enhances its mechanical stability. As a result, NMZB exhibits exceptional electrochemical stability, achieving 90.5 % capacity retention after 200 cycles at a 1C rate. This compositional strategy incorporates a high nickel content into layered materials while eliminating cobalt, which is crucial for advancing the development of cost effective and high-performance lithium-ion battery technology.

Electro-Chemo-Mechanically Stable and Sodiophilic Interface for Na Metal Anode in Liquid-based and Solid-State Batteries.

Na metal batteries (NMBs) are attracting increasing attention because of their high energy density. However, the widespread application of NMBs is hindered by the growth of Na dendrites and interface instability. The design of artificial solid electrolyte interphase (SEI) with tuned chemical/electrochemical/mechanical properties is the key to achieving high-performance NMBs. This work develops a metal-doped nanoscale polymeric film with tunable composition, sodiophilic sites and improved stiffness. The incorporation of metal crosslinkers in the polymer chains results in exceptional electrochemical stability for Na metal anodes, leading to a significantly prolonged lifespan even at high current densities, which is at the top of the reported literature. The mechanical properties measurements and electro-chemo-mechanical phase-field model are performed to interpret the impact of the ionic transportation capability (decoupled mechanical) and mechanic property in the metal-doped polymer interface. In addition, this approach provides a promising strategy for the rational design of electrode interfaces, providing enhanced mechanical stability and improved sodiophilicity, which can open up opportunities for the fabrication of next-generation energy storage.

Ceramic Meta-Aerogel with Thermal Superinsulation up to 1700 °C Constructed by Self-Crosslinked Nanofibrous Network via Reaction Electrospinning.

Thermal insulation under extreme conditions requires the materials to be capable of withstanding complex thermo-mechanical stress, significant gradient temperature transition, and high-frequency thermal shock. The excellent structural and functional properties of ceramic aerogels make them attractive for thermal insulation. However, in extremely high-temperature environments (above 1500 °C), they typically exhibit limited insulation capacity and thermo-mechanical stability, which may lead to catastrophic accidents, and this problem is never effectively addressed. Here, a novel ceramic meta-aerogel constructed from a crosslinked nanofiber network using a reaction electrospinning strategy, which ensures excellent thermo-mechanical stability and superinsulation under extreme conditions, is designed. The ceramic meta-aerogel has an ultralow thermal conductivity of 0.027 W m-1 k-1, and the cold surface temperature is only 303 °C in a 1700 °C high-temperature environment. After undergoing a significant gradient temperature transition from liquid nitrogen to 1700 °C flame burning, the ceramic meta-aerogel can still withstand thousands of shears, flexures, compressions, and other complex forms of mechanical action without structural collapse. This work provides a new insight for developing ceramic aerogels that can be used for a long period in extremely high-temperature environments.

Gelatin/EGDE Ultrafine Composite Fibers Reinforced with 3D Spacer Fabric as Bicomponent Scaffolds for Tissue Engineering.

Protein-based ultrafine fibrous scaffolds can mimic the native extracellular matrices (ECMs) with regard to the morphology and chemical composition but suffer from poor mechanical and wet stability. As a result, cells cannot get a true three-dimensional (3D) environment as they find in native ECMs. In this study, an epoxide, ethylene glycol diglycidylether (EGDE), with high reactivity to active hydrogen is introduced to gelatin solution, serving as an effective cross-linker. The gelatin/EGDE 3D-ultrafine (∼500 nm in diameter) fibrous composite scaffolds are made by an ultralow-concentration phase separation technique (ULCPS). The effects of the polymer content and modification conditions on the morphology and wet stability of the constructs are investigated. It is revealed that ultrafine fibers with 3D random orientation could be formed at low concentrations (0.01, 0.05, and 0.1 wt %, respectively). The wet stability of the constructs could be effectively improved by introducing EGDE into the gelatin system. The shrinkage is reduced to merely 2.14% after the modification at 120 °C for 2 h and could be maintained for up to 3 days. In order to improve the compression properties, the same technique is utilized with the presence of a poly(lactic acid) (PLA) spacer fabric to produce a bicomponent scaffold. The mechanical property and cell viability of the bicomponent scaffolds are investigated, and it is found that cells could enter deep inside and orient themselves randomly at the central area of the bicomponent scaffold. The modification and design approach presented in this study has the potential to provide various protein-based ultrafine fibrous biomaterials for a variety of biomedical applications.

Rugged Island-Bridge Inorganic Electronics Mounted on Locally Strain-Isolated Substrates.

Various strain isolation strategies that combine rigid and stretchable regions for stretchable electronics were recently proposed, but the vulnerability of inorganic materials to mechanical stress has emerged as a major impediment to their performance. We report a strain-isolation system that combines heteropolymers with different elastic moduli (i.e., hybrid stretchable polymers) and utilize it to construct a rugged island-bridge inorganic electronics system. Two types of prepolymers were simultaneously cross-linked to form an interpenetrating polymer network at the rigid-stretchable interface, resulting in a hybrid stretchable polymer that exhibited efficient strain isolation and mechanical stability. The system, including stretchable micro-LEDs and microheaters, demonstrated consistent operation under external strain, suggesting that the rugged island-bridge inorganic electronics mounted on a locally strain-isolated substrate offer a promising solution for replacing conventional stretchable electronics, enabling devices with a variety of form factors.

Superdurable Full-Life Superhydrophobic Composite Block.

Superhydrophobic materials are attractive for industrial development but plagued by poor mechanical stability. Herein, a superdurable full-life superhydrophobic composite block is designed and fabricated by embedding near-zero contractive superhydrophobic silica aerogel into a rigid iron-nickel foam structured similarly to a regular dodecahedron. The synergistic protection afforded by these materials ensures superrobust mechanical stability for the composite block, which features a high compressive strength of up to ≈7.4 MPa, and ultralow Taber abrasion of down to ≈0.567 mm after withstanding 50 000 cycles, and highly efficient water harvesting capability of up to ≈3114.3 mg min-1 cm-2 at a supercooling degree of 40 K. This robust material system provides a novel strategy to design superhydrophobic materials capable of withstanding extreme conditions, including high temperature, humidity, pressure, and abrasion.