Crystalline Phase Research Articles

Synthesis, Characterization and Antibacterial Activity Evaluation of CuO NPs and B-CuO NPs Obtained from Livistona Chinensis Leaf Extract.

Nanoparticles (NPs) exhibit fascinating size-dependent chemical and physical characteristics that make them useful for a variety of applications. The present paper reports the green synthesis of CuO NPs and B-doped CuO NPs (B-CuO NPs) from Livistona chinensis leaf extract. Not much work has been reported on the use of the plant extract for the fabrication of NPs, particularly those of Cu and its doped counterparts. Various spectroscopic techniques were used to characterize the synthesized NPs. In the FT-IR spectra, peaks obtained at 504 cm-1 to 600 cm-1 were due to Cu-O vibrations. The energy dispersive X-ray analysis (EDX) spectra confirmed the CuO NPs' composition and B's presence inside the NPs. The peak pattern in the X-ray diffraction (XRD) spectrum confirmed the crystalline and monoclinic phases of the NPs. The average crystalline size of CuO NPs and B-CuO NPs was 19.56 nm and 17.30 nm respectively. The CuO and B-CuO NPs were tested against three Gram-positive bacterial strains namely Bacillus subtilis, Micrococcus luteus, and Staphylococcus aureus and three Gram-negative Escherichia coli, Salmonella abony, and Pseudomonas aeruginosa through Agar well diffusion method and it was found that CuO NPs showed higher activity than B-CuO NPs. Gentamicin was used as the positive control. The antibacterial activity may be due to the cell wall disruption by induction of innate and adaptive host immune response, generating toxic reactive oxygen species (ROS), and stimulating intracellular effects.

Bioleaching of lithium from jadarite, spodumene, and lepidolite using Acidiothiobacillus ferrooxidans

Lithium (Li) is becoming increasingly important due to its use in clean technologies that are required for the transition to net zero. Although acidophilic bioleaching has been used to recover metals from a wide range of deposits, its potential to recover Li has not yet been fully explored. In this study, we used a model Fe(II)- and S-oxidising bacterium, Acidiothiobacillus ferrooxidans (At. Ferrooxidans), to extract Li from three different minerals and kinetic modelling to predict the dominant reaction pathways for Li release. Bioleaching of Li from the aluminosilicate minerals lepidolite (K(Li,Al)3(Al,Si,Rb)4O10(F,OH)2) and spodumene (LiAl(Si2O6)) was slow, with only up to 14% (approximately 12 mg/L) of Li released over 30 days. By contrast, At. ferrooxidans accelerated Li leaching from a Li-bearing borosilicate clay (jadarite, LiNaB3SiO7OH) by over 50% (over 120 mg/L) in 21 days of leaching, and consistently enhanced Li release throughout the experiment compared to the uninoculated control. Biofilm formation and flocculation of sediment occurred exclusively in the experiments with At. ferrooxidans and jadarite. Fe(II) present in the jadarite-bearing clay acted as an electron donor. Chemical leaching of Li from jadarite using H2SO4 was most effective, releasing approximately 75% (180 mg/L) of Li, but required more acid than bioleaching for pH control. Kinetic modelling was unable to replicate the data for jadarite bioleaching after primary abiotic leaching stages, suggesting additional processes beyond chemical leaching were responsible for the release of Li. A new crystalline phase, tentatively identified as boric acid, was observed to form after acid leaching of jadarite. Overall, the results demonstrate the potential for acidophilic bioleaching to recover Li from jadarite, with relevance for other Li-bearing deposits.

Self-assembly and phase behavior of Janus rods: Competition between shape and potential anisotropy.

We characterize the self-assembly and phase behavior of Janus rods over a broad range of temperatures and volume fractions, using Langevin dynamics simulations and free energy calculations. The Janus rods consist of a line of fused overlapping spheres that interact via a soft-core repulsive potential, with the addition of an attractive pseudo-square-well tail to a fraction of the spheres (the coverage) ranging from 5% to 100% of sites. Competition between the stability of liquid crystal phases originating from shape anisotropy and assembly driven by directional interactions gives rise to a rich polymorphism that depends on the coverage. At low densities near the Boyle temperature, we observe the formation of spherical and tubular micelles at low coverages, while at higher coverages, randomly oriented monolayers form as the attractive parts of the rods overlap. At higher densities, bilayer structures appear and merge to form smectic and crystalline lamellar phases. All these structures gradually become unstable as the temperature is increased until eventually regular nematic and smectic phases appear, consistent with the hard rod limit. Our results indicate that the intermediate regime where shape-entropic effects compete with anisotropic attractions provided by site specificity is rich in structural possibilities and should help guide the design of rod-like colloids for specific applications.

Controlling Metal-Support Interactions to Engineer Highly Active and Stable Catalysts for COx Hydrogenation.

This perspective focuses on the modulation of metal-support interaction (MSI) in catalysts for COx hydrogenation, highlighting their profound impact on catalytic performance. Firstly, it outlines different strategies, including the use of highly reducible oxides and moderate reduction treatments, which induce the classical strong metal-support interaction (SMSI) effect and the electronic metal-support interaction (EMSI) effect. Morphology engineering and crystalline phase manipulation of oxides presented as effective methods to control EMSI are also discussed. The discrimination of SMSI and EMSI can be achieved using oxides with low encapsulation tendencies, such as ZrO2, which supports electronic modifications without or minimizing the overgrowth issues, optimizing the catalytic performance for methanation. Then, the synergy between Cu and ZnO in methanol synthesis, enhanced by SMSI, is emphasized inside. Optimizing support oxides to control oxygen vacancies enhances the catalytic performance of CO2 hydrogenation to methanol. Perspectives for the future research on the fundamental understanding of structure-MSI-performance relationship for catalyst design is discussed.

A Simple Neural Network for Estimating Fine Sediment Sources Using XRF and XRD

Suspended sediment (SS) has a wide range of negative effects such as increased water turbidity, altered habitat structures, sedimentation, and effects on hydraulic systems and environmental engineering projects. Nevertheless, the methods for accurately determining SS sources on a basin-scale are poorly understood. Herein, we used a simplified neural network analysis (NNA) model to identify the sources of SS in Japan’s Oromushi River Catchment Basin. Fine soil samples were collected from different locations of the catchment basin, processed, and separately analysed using X-ray fluorescence (XRF) and X-ray diffraction (XRD). The sampling stations were grouped according to the type of soil cover, vegetation type and land-use pattern. The geochemical components of each group were fed into the same neural network layer, and a series of equations were applied to estimate the sediment contribution from each group to the downstream side of the river. Samples from the same sampling locations were also analysed by XRD, and the obtained peak intensity values were used as the input in the NNA model. SS mainly originated from agricultural fields, with regions where the ground is covered with volcanic ash identified as the key sources through XRF and XRD analysis, respectively. Therefore, based on the nature of the surface soil cover and the land use pattern in the catchment basin, NNA was found to be a reliable data analytical technique. Moreover, XRD analysis does not incorporate carbon, and also provides detailed information on crystalline phases. The results obtained in this study, therefore, do not depend on seasonal uncertainty due to organic matter.

Liquid-liquid crystalline phase separation of spider silk proteins.

Liquid-liquid phase separation (LLPS) of proteins can be considered an intermediate solubility regime between disperse solutions and solid fibers. While LLPS has been described for several pathogenic amyloids, recent evidence suggests that it is similarly relevant for functional amyloids. Here, we review the evidence that links spider silk proteins (spidroins) and LLPS and its role in the spinning process. Major ampullate spidroins undergo LLPS mediated by stickers and spacers in their repeat regions. During spinning, the spidroins droplets shift from liquid to crystalline states. Shear force, altered ion composition, and pH changes cause micelle-like spidroin assemblies to form an increasingly ordered liquid-crystalline phase. Interactions between polyalanine regions in the repeat regions ultimately yield the characteristic β-crystalline structure of mature dragline silk fibers. Based on these findings, we hypothesize that liquid-liquid crystalline phase separation (LLCPS) can describe the molecular and macroscopic features of the phase transitions of major ampullate spidroins during spinning and speculate whether other silk types may use a similar mechanism to convert from liquid dope to solid fiber.

Lithium lanthanum zirconate thin films investigated using spectroscopic and microscopic techniques

ABSTRACT In this work, thin film growth of lithium lanthanum zirconate (LLZO) on p-type Si substrate was carried out using radio frequency (RF) sputtering and was characterized using microscopic and various spectroscopic techniques including X-ray absorption spectroscopy. Films were deposited at a sputtering power of 70 W at a based pressure of 4 × 10−5 Torr. Deposited films were annealed at 700°C for 1 h. The as-deposited films were amorphous and no transition to a crystalline phase was observed after annealing. Although films are amorphous Raman spectroscopic measurements exhibit the bands that are characteristics of LLZO. The thickness of the as-deposited film estimated from Rutherford backscattering spectroscopy (RBS) was 100 nm and remained unchanged after annealing. The thickness of the annealed films as determined from scanning electron microscopy (SEM) was 48 ± 21 nm. The composition of these films determined from RBS is almost analogues to that estimated from SEM-energy-dispersive spectroscopic measurements. However, O K-edge near edge X-ray absorption fine structure spectra showed slight modification with annealing but a drastic change was observed in the spectra measured in total electron yield and total fluorescence yield measurements. This change is due to the difference like the interaction of oxygen ions with its neighbouring atoms on the surface and in the bulk of the films.

Thermoelectric power generator module using n-type Sb₂S₃ and p-type Bi₂Te₃-coated cotton fabric for wearable device applications

Antimony trisulfide (Sb₂S₃), a binary metal chalcogenide, exhibits significant promise for energy conversion applications due to its tunable bandgap and exceptional stability under exposure to moisture and air, making it a strong candidate for thermoelectric applications. In this study, Sb₂S₃ was synthesized via co-precipitation method and subsequently coated onto cotton fabric using a formulated ink. X-ray diffraction (XRD) and scanning electron microscopy (SEM) analyses confirmed its orthorhombic crystalline structure and nanorod-like morphology. Sb₂S₃ was found to possess an indirect bandgap of 1.70 eV in its amorphous phase and 1.52 eV in its crystalline phase. Fourier-transform infrared (FTIR) spectroscopy revealed characteristic peaks at 447 cm⁻1 and 568 cm⁻1, corresponding to the symmetric stretching vibrations of Sb-O and Sb-S bonds, respectively. Current-voltage (I-V) measurements indicated near-ohmic behavior with an electrical conductivity of 2 × 10⁻⁵ S/cm, while Hall effect measurements confirmed its n-type semiconducting nature. The thermoelectric evaluation of Sb₂S₃-coated cotton fabrics demonstrated n-type behavior, with the Seebeck coefficient increasing with temperature, reaching −185 μV/K at 293 K with a notable power factor of 6.845 × 10−4 nW/cmK2. The material also exhibited low thermal conductivity (0.077 W/mK) and an effusivity of 223.95 Ws1/2/m2K. For the first time, a thermoelectric device was successfully fabricated by combining Sb₂S₃ as the n-type material with Bi₂Te₃ as the p-type material. This device, integrated into a wearable hand band, demonstrated an output voltage of 4.7 mV under a temperature difference of approximately 4 °C, highlighting its significant potential for low-power applications in wearable technology. The successful integration of these materials into a flexible substrate underscores their viability in next-generation thermoelectric energy harvesting devices.

Programmable orientation of blue phase soft photonic crystal

Understanding the structure formation and its underlying physical mechanism is a fundamental topic in condensed matter systems, with both academic and practical implications. Soft matter is playing a remarkable role in current era of information explosion, demonstrating enormous potential in integrated functional photonics. As unique soft photonic crystals with cubic symmetries, not only liquid crystalline blue phases (BPs) have circularly polarized selective reflection and ultra-fast electro-optical response, but also their three-dimensional photonic structures increase degrees-of-freedom for multiplexed optical modulation. In the thriving field of soft-matter-based photonics, precise and programmable engineering of BP crystal orientation is of vital importance for planar optical elements, which remains a challenging task due to the complexity of the nucleation process as well as the interaction between the BP building blocks and the boundary conditions. Aiming to gain a comprehensive understanding of how to tailor the orientation of BP crystals for the photonic applications of next generation, here we discuss the solutions for uniformity improvement and orientation control of BP crystals, about which a few of examples in combination with the underlying mechanisms are explained. In addition, the remaining challenges and the efforts that are expected are also reviewed. We expect this work provides a deeper understanding of phase transitions and resulting structures in soft crystals, which may open encouraging perspectives for their applications in photonics, biosensing, interfacial, and chemical engineering.

Chitosan as a Templating Agent of Calcium Phosphate Crystalline Phases in Biomimetic Mineralization: Theoretical and Experimental Studies.

Highlighting the essential role of chitosan (CS), known for its biocompatibility, biodegradability, and ability to promote cell adhesion and proliferation, this study explores its utility in modulating the biomimetic mineralization of calcium phosphate (CaP). This approach holds promise for developing biomaterials suitable for bone regeneration. However, the interactions between the CS surface and in situ precipitated CaP still require further exploration. In the theoretical section, molecular dynamics (MD) simulations demonstrate that, at an appropriate pH level during the prenucleation stage, calcium ions (Ca2+) and hydrogen phosphate ions (HPO42-) form Posner-like clusters. Additionally, the interaction between these clusters and the CS molecule enhances system stability. Together, these phenomena facilitate the transition to subsequent heterogeneous nucleation on the surface of the organic matrix, which is a more controlled process than homogeneous nucleation in solution. Dynamic simulation results suggest that CS acts as a stabilizing matrix at pH 8.0 during biomimetic mineralization. In the experimental section, the effects of pH and the molecular weight of CS were investigated, with a focus on their impact on the crystal structure of the resulting material. X-ray diffraction and scanning electron microscopy analyses reveal that, under conditions of approximately pH 8.0 and a CS molecular weight of 20 000 g/mol, and controlled ion concentration, ultrasound radiation, and temperature, the dominant CaP phases in the material are carbonate-doped hydroxyapatite (CHA) and octacalcium phosphate (OCP). These findings suggest that CS, when adjusted for molecular weight and pH, facilitates the formation of CaP crystal phases that closely resemble the natural inorganic composition of bone, highlighting its protective and regulatory roles in the growth and maturation of crystals during mineralization. The theoretical predictions and experimental outcomes confirm the crucial role of CS as a templating agent, enabling the development of a biomimetic mineralization pathway. CS's ability to guide this process may prove valuable in the design of materials for bone tissue engineering, particularly in developing effective materials for bone tissue healing and regeneration.

Maximizing Bifunctionality for Overall Water Splitting by Integrating H2 Spillover and Oxygen Vacancies in CoPBO/Co3O4 Composite Catalyst

In the pursuit of utilizing renewable energy sources for green hydrogen (H2) production, alkaline water electrolysis has emerged as a key technology. To improve the reaction rates of overall water electrolysis and simplify electrode manufacturing, development of bifunctional electrocatalysts is of great relevance. Herein, CoPBO/Co3O4 is reported as a binary composite catalyst comprising amorphous (CoPBO) and crystalline (Co3O4) phases as a high‐performing bifunctional electrocatalyst for alkaline water electrolysis. Owing to the peculiar properties of CoPBO and Co3O4, such as complementing Gibbs free energy values for H‐adsorption (ΔGH) and relatively smaller difference in their work functions (ΔΦ), the composite exhibits H2 spillover (HS) mechanism to facilitate the hydrogen evolution reaction (HER). The outcome is manifested in the form of a low HER overpotential of 65 mV (at 10 mA cm−2). Moreover, an abundant amount of surface oxygen vacancies (Ov) are observed in the same CoPBO/Co3O4 composite that facilitates oxygen evolution reaction (OER) as well, leading to a mere 270 mV OER overpotential (at 10 mA cm−2). The present work showcases the possibilities to strategically design non‐noble composite catalysts that combine the advantages of HS phenomenon as well as Ov to achieve new record performances in alkaline water electrolysis.

Hierarchically Structured Ceramic Coatings Based on Zirconia and Magnesium Oxide with High Toughness

AbstractA major challenge in the application of ceramic materials is a trade‐off between strength and toughness. In this work, hierarchically structured ceramic coatings (HSCCs) are fabricated to address this challenge. HSCCs feature a dual‐layer micron‐scale structure built on a “brick‐mortar” nanoscale structure, which is achieved by changing the crystalline and amorphous phase ratio during plasma electrolytic oxidation (PEO). It is found that HSCCs with homogeneous interfaces exhibit high thermal stability up to 700 °C and a 65% improvement in shear strain resistance compared to conventional crystalline coatings (CCCs). This improvement is attributed to the stabilizing effect of atoms on the boundaries of the enhancement phase and the facilitating effect on the deformation of the compliant phase. The hierarchical structure effectively leverages the plasticity of the compliant phase and the strength of the enhancement phase facilitated by the homogeneous interface. This work proposes a feasible approach for improving the toughness of ceramic functional composites and mitigating their susceptibility to brittle fracture.

Computational supported experimental insights in adsorption of Congo Red using ZnO/doped ZnO in aqueous solution

The rapid growth of industrialisation has led to the discharge of harmful effluents into water bodies, severely disrupting the balance of ecosystems. The detection and removal of dyes from wastewater remains a significant challenge. In this study, we report the synthesis of zinc oxide (ZnO) and its doped derivatives through a facile chemical method, followed by comprehensive characterisation and analysis to assess their potential in various applications. The structural properties of the synthesised materials were confirmed by X-ray diffraction (XRD), which verified their crystalline nature and phase purity. Morphological analysis using field emission scanning electron microscopy (FE-SEM) coupled with energy dispersive X-ray analysis (EDAX) revealed well-defined nanostructures and uniform elemental distribution. The adsorption ability of the synthesized adsorbents was investigated through electrochemical methods, cyclic voltammetry and Tafel plots, which demonstrated enhanced conductivity and charge transfer characteristics. Additionally, theoretical studies through molecular modelling and molecular dynamic simulations were employed to elucidate the interactions between Congo red molecules and the surface of the synthesized compounds. Adsorption experiments were conducted to evaluate the efficacy of ZnO and its doped variants as adsorbents. To investigate any structural or functional changes after dye adsorption FTIR and XRD were compared, provided a deeper insight into the adsorption mechanism. This multi-faceted approach highlights the potential of ZnO-based materials for effective wastewater treatment and other environmental applications.

The Structure and Optical Properties of Luminescent Terbium Terephthalate Metal–Organic Frameworks Doped with Yttrium, Gadolinium, and Lanthanum Ions

The structural features and luminescent properties of heterometallic Tb–Gd, Tb–La, and Tb–Y terephthalate metal–organic frameworks, namely (TbxM1−x)2(1,4-bdc)3∙4H2O (M = Gd, La, Y), were studied in detail in a wide concentration range (x = 0.001–1). The crystalline phase of synthesized compounds corresponds to Ln2(1,4-bdc)3·4H2O. The lifetime of 5D4 decreased with increased Tb3+ concentration, but PLQY depends non-linearly on the Tb3+ concentration. The 50% substitution of Tb3+ for Y3+, Gd3+, or La3+ ions result in the significant enhancement of photoluminescence quantum yield, up to 1.6 times. The morphology, thermal stability, and vibrational structure of the selected homo- and bi-metallic materials is reported as well.

Liquid crystal and emulsifying properties of carboxymethyl glucoside as water-soluble surfactant

ABSTRACT Three derivatives of glucosides derived from n-dodecyl alcohol in a highly pure β-anomer were synthesised with the aim to yield the liquid crystalline phase at ambient temperature with improved water solubility. Effect of variation in headgroup polarity on thermal properties, liquid crystalline phases, and structures of these derivatives of n-dodecyl β-D-glucoside (β-GlcC12) has been examined through differential scanning calorimetry, optical polarising microscopy, and small- and wide-angle X-ray scattering, respectively. Derivative bearing two carboxymethyl and two hydroxyl groups at the sugar ring i.e. n-dodecyl 2,3-bis-O-[carboxymethyl]-β-D-glucopyranoside (2,3-diCOOH-β-GlcC12) exhibited lamellar phase at the room temperature in anhydrous condition by significantly reduced the melting and clearing temperatures compared to parent compound β-GlcC12. Under excess water condition, 2,3-diCOOH-β-GlcC12 was completely soluble to form a normal micellar solution. We further investigated its foaming performance and emulsifying ability in n-octane, n-dodecane, and n-hexadecane as the oil phase. Both aqueous solution of 2,3-diCOOH-β-GlcC12 emulsified with n-dodecane and n-hexadecane formed oil-in-water emulsion layer of more than 95% of the total system volume with n-dodecane/water system consistently maintains smaller particle sizes and a narrower polydispersity index. This supports the stronger emulsifying ability and better colloidal stability of the 2,3-diCOOH-β-GlcC12 in the n-dodecane/water system than in the n-hexadecane/water system.

Investigation of the degradation behaviour of poly-L-lactic acid braided stents under real-time and accelerated conditions

Degradation tests are a key step in the development of a bioresorbable stent. The present study focused on the degradation of bioresorbable stents made from PLLA filaments, and examined the variation of the physical, thermal, and mechanical properties of the material and the devices under both real-time and accelerated degradation conditions. Results showed that the undegraded filaments were highly crystalline and composed by both α and α′ crystalline phases, induced by both the melt spinning and heat treatment processes. The latter was shown to have an important influence on the further formation of α crystalline phase and therefore crystalline structure perfectioning. Real-time degradation tests showed that the devices maintained structural stability for up to a year, meeting the required 6-month degradation period for vascular stents. Degradation was shown to primarily affect the crystalline regions, and to cause a gradual loss of material ductility before any mass loss or decrease in crystallinity. In turn, a constant decrease of molecular weight was observed, with stent failure occurring around day 389 due to a drop in molecular weight below 10,000 g/mol. Accelerated degradation tests mirrored real-time results until mass loss began. Subsequently a slower molecular weight decrease was observed, with an increase and subsequent decrease of material crystallinity. The consistency of the data obtained between real-time and accelerated degradation before mass loss confirmed the possibility to gain insights into real-time degradation through an accelerated protocol. However, attention must be paid to the initial molecular weight of the material, which has been shown to highly influence the acceleration rate. This study provides a wide range of experimental data both on the real-time and thermally accelerated degradation behaviour of PLLA braided stents that can be used as benchmark for further studies in the field.

More Efficient Chemical Recycling of Poly(Ethylene Terephthalate) by Intercepting Intermediates.

The research presented in this paper offers insight into the availability of intermediates in the depolymerization of polyethylene terephthalate (PET) to be used as feedstock to create value-added products. Monitoring the dispersity, molecular weight, end groups, and crystallinity of reaction intermediates during the heterogeneous depolymerization of PET offers insight into the mechanism by which the polymer chains evolve during the reaction. Our results show dispersity decreases and crystallinity increases while the yield of insoluble PET remains high early in the reaction. Our interpretation of this data depicts a mechanism where chain scission targets amorphous tie chains between crystalline phases. Targeting the tie-chains lowers the Mn of the polymer without changing the amount of recovered polymer flake. Chain scission of tie-chains and isolating highly crystalline PET lowers the dispersity (Đ) of the polymer chains, as the size of the crystalline lamellae guides the molecular weight of the depolymerized oligomers. When sufficient end groups of PET chains are converted to alcohol groups, the PET flakes break apart into highly crystalline and less disperse polymer. Our results also demonstrate that the oligomeric depolymerization intermediates are readily repolymerized, offering new opportunities to chemically recycle PET more effectively and efficiently, from both an energy and purification standpoint.

Effect of Br···O Bonding on the Chiral Assembly of Brominated Amides in the Crystalline Phase

Effect of Br···O Bonding on the Chiral Assembly of Brominated Amides in the Crystalline Phase

Using phosphorus doped hydrogenated silicon oxycarbide film as a window layer on the light entrance side of silicon heterojunction solar cells: The role of phase separation on electron transport

The phosphorus doped hydrogenated nanocrystalline silicon oxycarbide (n-nc-SiCO:H) layer can be used as a window layer on the light incident side of silicon heterojunction solar cells (HJT). The chemical composition, structural organization and properties of the n-nc-SiCO:H layer deposited from plasma enhanced chemical vapor deposition (PECVD) method can be easily manipulated via radio frequency power density tuned. Phase separation is observed in the n-nc-SiCO:H layer in which nanoscale silicon crystallites were embedded in amorphous silicon oxycarbide matrix. The optical properties of the n-nc-SiCO:H layer are depended on oxygen and carbon atoms incorporation ratio. The conductivity of the n-nc-SiCO:H layer is dominated by activated phosphorus concentration and the phase separation. The activated phosphorus atoms which play an important role on electron transportation are distributed in both crystalline silicon phase and amorphous silicon phase. Both activated phosphorus concentration and band gap value for oxygen rich amorphous silicon oxycarbide layer are determined by incorporation ratio of O atoms. The interplay effects of optical and electrical properties of the n-nc-SiCO:H layers on HJT cells electric performance variation are revealed out in this report. An average efficiency (across ∼120 cells) of 26.3 % was achieved in cells with optimized power density for the n-nc-SiCO:H layer. The results demonstrate that phase separation in the n-nc-SiCO:H layer plays a critical role on electron transportation.

Enhanced Electrochemical Performance of Highly Porous CeO2-Doped Zr Nanoparticles for Supercapacitor Applications.

The aim of this work was to develop an ultrasonic-assisted synthesis method for the fabrication of CeO2-doped Zr nanoparticles that would improve the performance of supercapacitor electrodes. This method, which eliminates the need for high-temperature calcination, involves embedding CeO2 into Zr nanoparticles through 1 hr (CeO2-Zr-1) and 2 hrs (CeO2-Zr-2) of ultrasonic irradiation, resulting in the formation of nanostructures with significant improvements in their electrochemical properties. Through physicochemical analysis, we observed that the CeO2-doped Zr nanoparticles, particularly those treated for 2 hrs (CeO2-Zr-2), exhibit superior crystalline phase purity, optimal chemical surface composition, minimal agglomeration with particle sizes below 50 nm, and an impressive average surface area of 178 m2/g. Compared to the 1 hr irradiation samples (CeO2-Zr-1) and undoped CeO2 nanoparticles, the (CeO2-Zr-2) electrodes demonstrated a remarkable capacitance of 198 Fg-1 at a current density of 1 A/g while maintaining ~94.9% of their capacity after 3750 cycles. This indicates not only good reversibility but also exceptional stability. In (CeO2-Zr-2) samples, the nanospherical structure achieved through ultrasonic synthesis is responsible for the enhanced capacitive behavior and stability, along with the synergistic effects caused by Zr doping, which improves the CeO2 nanoparticle conductivity to a significant extent. Surface areas of the electrodes are larger due to the combination of these two materials, which contribute to their superior performance.