Study Of Temperature Dependence Research Articles

Distinct Valley Polarization in Vertical Heterobilayers: Difference between Edge- and Center-Nucleated WS2/MoS2.

Structural imperfections can cause both beneficial and detrimental consequences on the excitonic characteristics of transition metal dichalcogenides (TMDs). Regarding valley selection, structural defects typically promote valley depolarization in monolayer TMDs, but defect healing via an additional growth process can restore valley polarization in vertical heterobilayers (VHs). In this study, we analyzed the valley polarization of center-nucleated and edge-nucleated VHs (WS2/MoS2) grown using a controlled growth process and discovered that defect-related photoluminescence (PL) is strongly suppressed in the center-nucleated VHs due to defect healing. Additionally, we demonstrated that the valley polarization of lower-lying intralayer excitons is more sensitive to the defect density of the sample than to higher-lying intralayer excitons. Despite defect healing in the center-nucleated VHs, the temperature-dependent PL study indicated that valley depolarization of the lower-lying intralayer excitons becomes significant below 100 K because of stronger hybridization of defect states. Also, we conducted a comprehensive study on the excitation intensity dependence to investigate the electron-doping-induced Auger recombination mechanism, which also contributes to valley depolarization of intralayer excitons via regeneration of intervalley trions. Our findings provide valuable insight into the development of VH-based valleytronic devices.

Solvent-Assisted Structural Modifications of Sulfur Dots Followed by Time-Dependent Emergence of a New Emissive State and Long-Lived Afterglow.

Sulfur dots are a new class of recently developed nonmetallic luminescent nanomaterials with various potential applications. Herein, we synthesized sulfur dots using a mild chemical etching method and then modified the structural features of the as-synthesized sulfur dots using a slow and defined solvent-assisted aggregation process. This increases the particle size and overall crystallinity along with the modifications of the surface functional groups, which eventually show a new emission band at longer wavelengths. Detailed photophysical and temperature-dependent luminescence studies confirmed that the new emissive state evolves due to interparticle interactions in the excited state. Furthermore, the occurrence of a new emissive state in a longer-wavelength region helped reduce the energy gap between the lowest excited singlet state and the lowest excited triplet state in modified sulfur dots, resulting in an aqueous stable room-temperature phosphorescence/afterglow emission through efficient intersystem crossing. This typical efficacious afterglow emission directly shows the potential applicability of structurally modified sulfur dots in encryption devices and can also be potentially effective in light emitting diodes (LED) and sensing devices.

Photo-Oxidation of α-Pinene Oxidation Products in Atmospheric Waters - pH- and Temperature-Dependent Kinetic Studies.

The atmospheric α-pinene oxidation leads to three carboxylic acids: norpinonic acid (NPA), pinic acid (PA), and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA). In this study, the OH radical kinetics in the aqueous phase of these carboxylic acids were investigated at different temperatures and pH values of solutions. Activation parameters and the corresponding atmospheric lifetimes of the acids in the troposphere were derived. The overall second-order rate constants for the individual speciation forms of the acids (AH and A- for NPA; AH2, AH- and A2- for PA; and AH3, AH2-, AH2- and A3- for MBTCA) were determined. At 298 K, the rate constants for reactions of protonated forms (AHx) of NPA, PA, and MBTCA with •OH, were (1.5 ± 0.2) × 109 L mol-1 s-1, (2.4 ± 0.1) × 109 L mol-1 s-1, and (4.1 ± 0.6) × 108 L mol-1 s-1, respectively. For the fully deprotonated forms (Ax-) of studied acids, the second-order rate constants were (2.2 ± 0.2) × 109 L mol-1 s-1, (2.8 ± 0.1) × 109 L mol-1 s-1, and (10.2 ± 0.7) × 108 L mol-1 s-1 at 298 K, respectively. It was found that the reactions of NPA and PA with OH radicals are faster than with MBTCA. For MBTCA, the reaction rate depends on pH more strongly at elevated temperatures (>298 K). The atmospheric lifetimes of the acids considered due to their reactivity with •OH were calculated for different model scenarios at a temperature of 283 K and pH = 2 in the aqueous phase. For this purpose, liquid water content (LWC) was used for aerosols and clouds under storm conditions and at various aqueous-phase concentrations of OH radicals. The lifetimes decreased with increasing LWC (from 10-12 m3 m-3 in aerosol to 10-5 m3 m-3 in storms), indicating that the acids undergo significant aqueous processing under realistic atmospheric conditions. Besides, the aerosol systems appeared less effective in removing PA and NPA, with lifetimes ranging from hundreds of days to tens and hundreds of hours, respectively. Clouds were more effective, with lifetimes ranging from tens of hours to a single second or less. MBTCA, which dissolves better in water, was effectively removed in all systems, with the longest lifetime of approximately 90 min.

Temperature-dependent dielectric and electromechanical properties of co-modified calcium bismuth titanate (CaBi4Ti4O15) ceramics

Bismuth layer-structured ferroelectrics (BLSFs), Aurivillius-type ceramics, are of great interest primarily due to their exceptionally high Curie temperature (Tc), rendering them invaluable in various applications such as sensors, actuators, transducers, and micro-electro-mechanical systems designed for elevated temperature operations, including ferroelectric Random-Access Memory applications. This study delves into the dielectric and electromechanical properties of Cobalt-modified Calcium Bismuth Titanate (CaBi4Ti4O15, CBT) (CBT-xCo, with x = 2, 4, and 6 mol%) prepared using a conventional solid-state route followed by sintering. By incorporation of Co, insignificant structural changes were observed, disclosed by X-ray Diffraction analysis. Scanning Electron Microscope micrographs unveiled highly anisotropic grains. The sintered density measured by Archimedes method was maximum for x = 6 mol% with value of 99.1 %. A temperature-dependent dielectric study disclosed that the Curie temperature of the CBT ceramics improved with the increase in Co concentration. Notably, CBT-4Co exhibited the lowest dielectric loss of 0.0967 at 1 MHz and the highest resistivity value of 0.1975 × 105 (Ω cm) at a temperature of 775 °C. Moreover, the electromechanical coupling (kp) and mechanical quality factor (Qm) measured at elevated temperatures unveiled distinctive properties, asserting the potential of the ceramics for high-temperature piezoelectric applications up to 450 °C. CBT-4Co demonstrated the highest kp, with a negligible variation at high temperature, although Qm declined. Results confirmed that CBT-4Co stands distinguished showcasing high Tc, minimal dielectric loss, and consistent electromechanical properties making it the prime candidate for electromechanical applications spanning the gamut from room temperature to elevated temperatures.

Phonon Properties and Lattice Dynamics of Two- and Tri-Layered Lead Iodide Perovskites Comprising Butylammonium and Methylammonium Cations-Temperature-Dependent Raman Studies.

Hybrid lead iodide perovskites are promising photovoltaic and light-emitting materials. Extant literature data on the key optoelectronic and luminescent properties of hybrid perovskites indicate that these properties are affected by electron-phonon coupling, the dynamics of the organic cations, and the degree of lattice distortion. We report temperature-dependent Raman studies of BA2MAPb2I7 and BA2MA2Pb3I10 (BA = butylammonium; MA = methylammonium), which undergo two structural phase transitions. Raman data obtained in broad temperature (360-80 K) and wavenumber (1800-10 cm-1) ranges show that ordering of BA+ cations triggers the higher temperature phase transition, whereas freezing of MA+ dynamics occurs below 200 K, leading to the onset of the low-temperature phase transition. This ordering is associated with significant deformation of the inorganic sublattice, as evidenced by changes observed in the lattice mode region. Our results show, therefore, that Raman spectroscopy is a very valuable tool for monitoring the separate dynamics of different organic cations in perovskites, comprising "perovskitizer" and interlayer cations.

Электрофизические и температурные характеристики тонких слоёв квантовых точек Ag2S

This paper presents a study of the electrical properties of colloidal silver sulfide quantum dots thin films (Ag2S/SiO2 QDs) and silver sulfide quantum dots decorated with Au plasmon nanoparticles (Ag2S/SiO2/Au QDs). A study of the conductivity temperature dependences was carried out in the temperature range from 300 to 360 K. The activation energy values were obtained from linear approximations of the current-voltage characteristics in Arrhenius coordinates. It has been shown that decorating Ag2S/SiO2 QDs with Au plasmon nanoparticles leads to an increase in the band gap from 0.29 to 0.89 eV. In this work, the ideality factor is calculated and the main conductivity mechanisms of the presented thin-film structures are determined. It has been shown that decorating Ag2S/SiO2 QDs with Au plasmon nanoparticles leads to a change in the conductivity type. According to the Mott-Gurney model, the charge carriers mobility is calculated.

Fabrication of methylated carbon quantum dot-based fluorescent films for highly sensitive and stable temperature probes

Due to their distinct physicochemical characteristics and outstanding biocompatibility, carbon quantum dots have shown to offer enormous potential in the field of temperature sensing. However, there is still much to learn about the mechanism underlying carbon quantum dots' thermal sensing capabilities, and developing incredibly precise thermometers based on it is still an enormous obstacle. Herein, we successfully fabricated carbon quantum dots with variable luminescence wavelength and temperature-sensitive properties by adjusting the ingredients to modify the composition of functional groups (-NH2, -OH, -COOH and -CH2OH) on the surface of quantum dots in a simple hydrothermal synthesis process, followed by encapsulation with polyvinyl alcohol (PVA). Subsequently, structural/optical characterisation and temperature-dependent studies were utilized for investigations into the quantum dot fluorescence mechanisms as well as the thermal sensing characteristics connected to surface functional groups, respectively. Notably, the designed red-emitting methylenated carbon quantum dot film probe displayed more linear segmented temperature sensing properties (R2>0.99), a wider temperature applicability range (20–160 °C), and high temperature reversibility (20–80 °C, at least 4 cycles). Finally, the mechanism by which functional groups affect the thermal characteristics of carbon quantum dots was addressed, and we hypothesized that intramolecular and intermolecular hydrogen bonding interactions are important factors affecting the thermal properties of carbon dots. This work presents great promise and theoretical guidance for the development of highly reliable carbon quantum dot temperature sensing systems.

Revealing the interaction mechanism between bovine serum albumin (BSA) and a fluorescent coumarin derivative: A multispectroscopic and in silico approach

The interaction of biomacromolecules with each other or with the ligands is essential for biological activity. In this context, the molecular recognition of bovine serum albumin (BSA) with 4-(Benzo[1,3]dioxol-5-yloxymethyl)-7-hydroxy-chromen-2-one (4BHC) is explored using multispectroscopic and computational techniques. UV–Vis spectroscopy helped in predicting the conformational variations in BSA. Using fluorescence spectroscopy, the quenching behaviour of the fluorophore upon interaction with the ligand is examined, which is found to be a static type of quenching; fluorescence lifetime studies further verify this. The binding constant is discovered to be in the range of 104 M−1, which indicates the moderate type of association that results in reversible binding, where the transport and release of ligands in the target tissue takes place. Fourier-transform infrared spectroscopy (FT-IR) measurements validate the secondary structure conformational changes of BSA after complexing with 4BHC. The thermodynamic factors obtained through temperature-dependent fluorescence studies suggest that the dominant kind of interaction force is hydrophobic in nature, and the interaction process is spontaneous. The alterations in the surrounding microenvironment of the binding site and conformational shifts in the structure of the protein are studied through 3D fluorescence and synchronous fluorescence studies. Molecular docking and molecular dynamics (MD) simulations agree with experimental results and explain the structural stability throughout the discussion. The outcomes might have possible applications in the field of pharmacodynamics and pharmacokinetics.

Estimation of thermophysical properties of a pouch-type Li-ion battery using an inverse methodology

The growing popularity of electric vehicles highlights the crucial role of batteries. Effective battery thermal management is crucial for improving performance, reliability, and safety, especially in tropical areas where overheating is a key challenge. This necessitates a comprehensive understanding of the thermophysical properties of batteries. The present study concerns the estimation of the temperature-dependent orthotropic thermophysical properties (kx , ky , kz , cp ) of the active material in a pouch-type Li-ion battery using an inverse methodology. An experimental study is conducted on a commercial AMP20M1HD-A Li-ion battery to measure the surface temperature at various locations using thermocouples. The forward model consists of the three-dimensional unsteady conduction problem and is solved in COMSOL using experimental boundary conditions. The data generated is used to train an Artificial Neural Network, which acts as a replacement for the forward model. The Metropolis Hasting-Markov Chain Monte Carlo algorithm along with the Bayesian inference inverse model is used for analyzing the posterior distribution and the average estimates for thermophysical properties are obtained. The temperature dependence study shows a significant correlation between temperature and battery thermophysical properties. The accuracy of the employed inverse model is validated by obtaining the surface temperature using the estimated thermophysical properties and comparing it with the measured surface temperature.

Enzyme mimicking activity of the Ru(pic)3 complex in the oxidation NADH coenzymes: kinetic and mechanistic studies

Mimicking the enzymatic oxidation of NADH and obtaining mechanistic insight into the electron transfer reaction pertinent to the redox inter-conversion of NADH/NAD+ couple is a long-term challenge in biological and energy-related chemistry. The kinetics and mechanism of the oxidation of NADH by [RuIII(pic)3] (pic– = picolinate anion) has been studied spectrophotometrically and kinetically in aqueous solution at pH 7.0 (MES buffer). The reaction was followed over time at 466 nm (metal to ligand charge transfer band of [RuII(pic)3]–). The rate of NADH oxidation was found to be first-order with respect to Ru(III)-complex concentration. The values of the observed rate constant (k obs) increased linearly with increase in the concentration of NADH. The rate of the reaction was independent of the ionic strength of the reacting solution. Activation parameters (ΔH≠ = 56 ± 1 kJ mol−1 and ΔS≠ = −65 ± 3 J.deg−1 mol−1) were determined from the temperature dependence studies (15-35 °C) of the reaction. Kinetic data and activation parameters are interpreted in terms of a mechanism involving outer-sphere electron transfer.

Magnetic properties and coupled spin‒phonon behavior of M‒type Sr1-xSmxFe12O19 (0 ≤ x ≤ 0.15) nanoparticles

We thoroughly investigated the effects of Sm³⁺ doping on the magnetic, structural, hyperfine, and vibrational properties of Sr1-xSmxFe12O19 (0 ≤ x ≤ 0.15) nanoparticles, which were synthesized using the proteic sol-gel process. The Rietveld refined XRD patterns confirmed the presence of M-type SrFe12O19, alongside a minor fraction of α-Fe2O3. As Sm³⁺ doping increased, the unit cell volume fluctuated, decreasing from 691.73 ų at x = 0 to 690.67 ų at x = 0.10 and slightly rising thereafter. The incorporation of Sm³⁺ induced a conversion of Fe3+ to Fe2+, affecting lattice parameters and crystallinity. At x = 0.10, maximum crystallite size (56.48 nm) and X-ray density (4.83 g/cm³) were attained, alongside decreased microstrain, indicating improved crystallinity and reduced defects. However, at x = 0.15, an increase in microstrain suggested lattice instability. FTIR confirmed that bands in the range 400–600 cm⁻1 might be due to the stretching vibration of oxygen and metal (Fe–O) ions, confirming the formation of hexaferrite. Temperature-dependent Raman spectroscopy studies confirmed the presence of spin-phonon coupling in all samples in the ferrimagnetic transition at ∼725-735 K. Mössbauer spectroscopy elucidated that the substitution of Sr2+ by Sm3+ induced the most pronounced effect on the 12k, 4f2, and 2a sites, corroborating the evolution of the lattice constants and the fact that these three sites have Sr sites in their close vicinity. The room-temperature hysteresis loops exhibited narrow features, indicative of soft magnetic behavior. Saturation magnetization (Ms), remanent magnetization (Mr), and coercivity (Hc) varied with Sm3+ doping content (x). Ms initially decreased from 62.62 emu/g and 22.03 emu/g at x = 0.00 to 54.96 emu/g and 19.63 emu/g at x = 0.10, respectively, and then increase to 59.77 emu/g and 21.86 emu/g at x = 0.15. Conversely, Mr and Hc showed a non-monotonic trend with x, suggesting complex interactions between dopant concentration and magnetic properties.

Effects of Ionic Liquids on the Nucleofugality of Bromide.

The nucleofugality of bromide was measured in solvent mixtures containing ionic liquids. The solvolysis rate constants of the bromides of well-defined electrofuges were determined in mixtures containing different proportions of 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide in ethanol. Temperature-dependent kinetic studies allowed an explanation of the observed solvent effects in different mixtures in terms of interactions in solution. Using the solvolysis data, the nucleofugality of bromide in these systems was determined. Likewise, nucleofugality data for bromide were determined in mixtures containing high proportions of seven further ionic liquids. These data allowed quantification of the effects of both varying the amount of ionic liquid and the nature of ionic liquid components on the nucleofugality of bromide. Importantly, ionic liquid mixtures were shown to affect the nucleofugality in a manner similar to chloride, providing a method for predicting the effects of ionic liquids on other electrofuges. Further, the ionic liquids were shown to move the transition state earlier along the reaction coordinate, meaning that there is less charge development in the transition state.

Tau-borides (Mnx{Ru,Os,Ir}1-x)23B6: X-ray single crystal and TEM data, physical properties

Investigation (electron microprobe and X-ray powder and single crystal diffraction analyses) of the phase relations in the Mn-rich corner (> 45 at% Mn) of the systems Mn-{Ru,Os,Ir}-B, prompted in all three systems a ternary compound with formula (Mnx{Ru,Os,Ir}1-x)23B6. For the systems Mn-Ru-B, Mn-Ir-B phase equilibria have been determined at 950°C (Ru), 900°C (Ir) revealing in both cases a small homogeneity region at constant B-content (Mn1-xRux)23B6 (0.29 < x < 0.37); (Mn1-xOsx)23B6 (0.33 < x < 0.37), as well as (Mn1-xIrx)23B6 (0.29 < x < 0.34). The crystal structure of the three compounds was determined from single crystal and X-ray powder intensity data analyses to be isotypic with the Cr23B6-type (so-called tau-phase, space group Fm3¯m, No. 225). In all cases Mn atoms fully occupy the 4a site (0,0,0) at the origin of the unit cell. For the 8c site (¼,¼,¼) we observed a random distribution of Mn1-x(PM)x with decreasing PM content (PM stands for a platinum group metal atom) going from Ru to Os and Ir, where Mn atoms fully occupy 8c. Whereas the remaining sites (48h, 32f) show various ratios of the two metal species, boron atoms fully occupy the centers (24e site) of the Archimedean metal atom antiprisms. A transmission electron microscopic study confirms the absence of superstructures related to these metal atom disorder, thus Mn and PM atoms randomly share their sites. The latter is well reflected in the behavior of the electrical resistivity of these compounds, which is dominated by disorder scattering. For (Mn0.6{Ru,Os}0.4)23B6, temperature dependent dc magnetization studies reveal distinct antiferromagnetic-like anomalies at TN ≅ 72 K and 114 K, respectively. Low field dc and ac magnetic susceptibility data of (Mn0.7Ir0.3)23B6 display a distinct ferromagnetic-like transition at TC = 280 K, consistent with a pronounced specific heat anomaly and a rather continuous temperature dependent evolution of magnetic anisotropy effects. Mechanical properties (hardness) characterize the tau phases among rather hard and brittle intermetallics (about 5–6 GPa).

Excimer Fluorescence of Acriflavine Dye in Glycerol and Ethylene Glycol.

This research investigates the excimerisation of acriflavine dye in ethylene glycol and glycerol solvents. Acriflavine, a member of the acridine dye family, exhibits unique fluorescence properties with applications in various fields, including cellular nucleus observation, nucleic acid analysis, and dye laser active media etc. The study explores the impact of solvent and concentration on acriflavine's emission properties, with a focus on excimer formation, which can influence its suitability as a dye laser active medium. UV-Visible absorption spectroscopy reveals concentration-dependent absorption profiles, with distinctive monomer bands. Steady-state fluorescence studies demonstrate the emergence of red-shifted excimer fluorescence bands as concentrations increase in both solvents. Temperature-dependent fluorescence studies reveal the dynamics of excimer formation, suggesting dynamic diffusion as the excimerisation mechanism. Time-resolved fluorescence spectroscopy confirms the singlet character of both monomer and excimer states, providing insights into the excimerisation process. Critical concentration values are determined, representing the equilibrium between monomeric and excimeric forms. The study also explores pH-induced spectral shifts, highlighting the influence of acidity on fluorescence properties. Overall, this research deepens our understanding of acriflavine's excimerisation in ethylene glycol and glycerol, offering insights that can enhance its diverse applications, especially in laser technologies.

Enhanced electrical performance of LiMnPO4 by carbon coating for solid-state battery applications

High-energy ball milling was employed to fabricate LiMnPO4 coated with varying carbon ratios (3%wt, 7%wt, and 10%wt), using glucose as a carbon source. The process involved pre-milling of LiMnPO4 precursors, followed by granulation through high-energy ball milling at 270 rpm for 2 h, and subsequent calcination at 700 °C without an inert gas flow. XRD analysis discerned the phases and structure of LiMnPO4, confirming the successful attainment of a single-phase LiMnPO4 without impurities. Rietveld refinement of the XRD data elucidated the crystallographic details, affirming the material's orthorhombic olivine structure with precise lattice parameters, thereby underpinning the structural integrity essential for electrochemical applications. FE-SEM analysis revealed uniformly distributed semi-sphere particles, with sizes ranging from 130 nm for LM to 183 nm for LM-10%C. FTIR analysis delineated the internal modes of vibration in the olivine structure and verified the presence of carbon on the powder surface. Electrical measurements conducted within the frequency range of 20 Hz–100 kHz demonstrated an increase in electrical conductivity with an escalation in carbon concentration, ranging from 31 μΩ−1m−1 to 75 μΩ−1m−1 for 0%C and 10%C, respectively. A temperature-dependent study spanning 30–160 °C revealed stable electrical conductivity behavior for the samples, with a marginal increase observed at elevated temperatures.

Synthesis and Characterization of the Electrical and Energy Storage Properties of New Barium Titanate - Europium Titanate Solid Solution

In the present work, the investigation of the structural, dielectric, ferroelectric and energy storage properties of polycrystalline samples of (1-x)BaTiO3 – xEuTiO3 (BT-ET) solid solution materials prepared by conventional solid-state reaction method has been carried out. X-ray diffraction analyses have revealed the formation of a single-phase tetragonal structure with the P4mm space group. Furthermore, the temperature dependence of the dielectric constants marked the presence of the following sequence of structural phase transitions, namely from rhombohedral to orthorhombic, from orthorhombic to tetragonal and from tetragonal to cubic phase transitions with the increase of temperature. A diffuse phase transition has been observed from the dielectric permittivity peak and has been analyzed using the modified Curie-Weiss law and the degree of diffuseness is found to be in the range of 1.16 - 1.76 due to the existence of different states of polarization. A phase diagram has been established based on the temperature-dependent dielectric permittivity studies. The room temperature ferroelectric properties point to a coercive field larger than that of BaTiO3 ceramics. Broad dielectric peaks associated with diffuse phase transition appear in a wide temperature range (40 - 100 °C) with the highest dielectric permittivity ε’ = 6498 found in the x = 0.05 ceramics. Moreover, an improved energy storage performance is obtained in the 0.95BaTiO3-0.05EuTiO3 ceramic with a recoverable energy density of Wrec = 0.797 J/cm3, coupled with an efficiency η = 73% at 170 kV/cm and the highest storage energy density of Wst = 1.571 J/cm3 is obtained for 0.90BaTiO3-0.10EuTiO3, which is superior to other lead-free BT-based ceramics. All these features demonstrate that the BT-ET ceramics can be widely used in energy storage applications and also in high-temperature multilayer capacitors for automotive, aerospace and related industries.

Molecular Dynamics Study of Temperature Dependence of Grain Boundaries (100) in Pure Aluminum with Application of Machine Learning

As is known, grain boundary (GB) energy determines the mobility of GBs and their population in metals. In this work, we study the energy of GBs in the (100) crystallographic plane and in the temperature range from 100 to 700 K. The study is carried out using both the molecular dynamic (MD) method and machine learning approach to approximate the MD data in order to obtain functional dependence in the form of a feed-forward neural network (FCNN). We consider the tilt and twist grain boundaries in the range of misorientation angles from 0 to 90°. Also, we calculate the average and minimum energy over the ensemble of GB states, since there are many stable and metastable structures with different energies even at a fixed grain misorientation. The minimum energies decrease with increasing temperature, which is consistent with the results of other studies. The scatter of GB energies in the temperature range from 100 to 700 K is obtained on the basis of MD simulation data. The obtained energy spread is in reasonable agreement with the data from other works on the values of GB energy in pure aluminum. The predictive ability of the trained FCNN as well as its ability to interpolate between the energy and temperature points from MD data are both demonstrated.

Iron-hydroxide controlled by cobalt and aluminium as an advanced electrocatalysts for overall water splitting and its temperature dependence

Multimetal hydroxide catalysts have the potential to combine their advantages to facilitate the synergistic effects for enhanced catalytic activity in alkaline medium. In this work we assessed the performance of the electrodeposited Cox-Fey-Alz hydroxide electrode as an electrocatalyst in an alkaline electrolyzer, showcasing its superior functionality compared to other control systems. The catalysts demonstrate exceptional electrochemical properties, achieving low overpotentials of η = 264 mV for OER and η = 197 mV for HER at a current density of 100 mA cm−2. Moreover, they maintain excellent durability even after 50 hours of continuous operation and exhibit a low Tafel slope of 41.4 mV dec−1. Temperature-dependent studies in electrocatalysis become particularly relevant when we consider the practical applications of these remarkable catalysts. A water electrolyzer constructed using the Cox-Fey-Alz hydroxide at the anode and cathode displays an extremely low cell voltage of 1.56 V at 25°C and 1.47 V at 55 °C, respectively, at a current density of 10 mA cm−2 for 50 h. The variation in temperature from 25 °C to 55 °C has a substantial impact on the overall performance, emphasizing the need for temperature-dependent studies. Understanding the catalyst's behaviour under different temperature regimes is crucial for optimizing its efficiency and durability in real-world applications. This insight can lead to the development of more energy-efficient and robust electrochemical systems for a sustainable future.

Spectroscopic investigation and molecular docking analysis of an FRET probe: Trypsin from bovine pancreas@Coumarin 440 dye conjugate

Herein, a systematic investigation of energy transfer from bovine pancreas trypsin to coumarin 440 (C440) dye is presented with an aim to design a FRET probe, as trypsin is an important enzyme for absorption and digestion of nutrients in the small intestine. Conformational changes in trypsin upon interaction with C440 dye are studied by employing both spectroscopic and molecular docking techniques. Steady state and time resolved measurements validate the formation of trypsin-C440 complex via dynamic quenching, that confirms the role of C440 as an inhibitor to suppress the activity of trypsin. Spectral overlap integral, Förster's distance, rate and energy transfer efficiency are calculated from steady state measurements. The observed blue shift in fluorescence suggests conformational changes due to hydrophobicity that arises in trypsin structure on binding with C440 possibly due to their interaction through H-bond (SER195 and GLN192), hydrophobic (GLN192 and HIS57) and π-π stacking bonding (HIS57). The stability of trypsin@C440 bio-conjugate at higher temperature was established from temperature dependent PL studies and the thermodynamic parameters determined agree with second law of thermodynamics. The thermodynamic parameters such as change in enthalpy (ΔH=172.2Jmol−1), change in entropy (ΔS=15.3Jmol−1K−1) and the respective approximately same and unity values of Gibb's free energy (ΔG) and Hill coefficient (n), as well as binding affinities determined from temperature dependent fluorescence studies validate the hydrophobic, spontaneous, exothermic process engaged in trypsin@C440 bio-conjugate.

In-situ polymerization of polythiophene/silicon carbide nanocomposites for gas sensing and optoelectronic devices

Silicon carbide (SiC)-reinforced polythiophene (PTh) nanocomposites were synthesized by oxidative in-situ polymerization. The successful inclusion of SiC nanoparticles into the PTh was confirmed by the characteristic peak of Si–C bond around 865 cm−1 in the Fourier transform infrared (FT-IR) spectra. The X-ray diffraction (XRD) patterns demonstrate that the amorphous nature of PTh reduces with the addition of SiC. The intensity of UV–Vis absorbance increased proportionally with filler loading, indicating improved optical properties for PThSiC7 (polythiophene/silicon carbide 7 wt%) nanocomposite compared to pristine PTh. Field emission scanning electron microscopy (FE-SEM) images illustrate the changes in surface morphology of PTh with the addition of SiC and uniform dispersion was observed in PThSiC7. The formation of spherical-shaped moieties was confirmed using transmission electron microscopy (TEM). The shifts in degradation and glass transition temperatures towards higher values were attributed to the enhanced thermal properties of the nanocomposites. Temperature-dependent studies on the electrical and dielectric properties of the samples underscored the excellent conductivity exhibited by PThSiC7 (7 × 10−3 S/cm) with a low activation energy of 0.058 eV. In response to the growing demand for gas sensors, samples were tested to sense ammonia gas, demonstrating that PThSiC nanocomposites were more sensitive than PTh. The controllable optical properties, thermal stability, electrical characteristics, and gas sensing performance of the PThSiC nanocomposites suggest their potential as a promising material for the development of advanced energy storage systems, sensors, and optoelectronic devices.