Study Of Temperature Dependence Research Articles

Exploring the potential use of silver-exchanged zeolites for adsorption of radon traces in low background experiments

Abstract Radon is an important source of radioactive background in experiments searching for rare decays and in the field of low-energy particle physics. Here, we report the first temperature-dependent study of radon adsorption on silver-exchanged zeolites from several commercial producers. Among the three tested zeolites, Ag-ETS-10 showed the best result. Hence, it was chosen for the further study of internal radioactivity and radon emanation, which are important characteristics of materials used in low-activity experiments. The important role of silver in radon adsorption is demonstrated by comparison of the silver-exchanged zeolites with their unexchanged counterparts. Furthermore, the temperature-dependent measurements showed that the enhancement of the radon adsorption upon the introduction of silver in zeolite occurs due to the increase of the heat of adsorption. This opens a new perspective for the search for highly efficient radon adsorbents.

Anharmonic phonon scattering study of 2H–MoTe2 crystal by Raman spectroscopy

Investigation of the anharmonic phonon effects in 2H–MoTe2 crystal is crucial, not only for understanding its phonon-mediated heat transport but also for developing MoTe2-based functional devices with high performance. Here, through in-depth temperature-dependent Raman spectroscopy studies over a wide temperature from 80 to 680 K, the nonlinear frequency shift and linewidth broadening have been observed for both out-of-plane A1g and in-plane E12g modes, which are associated with the phonon decay mechanisms. For the A1g mode, the integration of thermal expansion, three- and four-phonon scattering can describe the experimental data well. While for the E12g mode, the analysis including three-phonon and four-phonon processes is enough. Moreover, it is confirmed that the E12g mode has stronger anharmonicity than that of A1g. The calculations on phonon dispersions and phonon density of states guarantee the viability of possible symmetric and asymmetric phonon scattering channels. Therefore, our temperature-dependent Raman studies and the first-principles calculations jointly shed deep insight into the phonon-phonon interactions in 2H–MoTe2.

Exceptional magnetic and magnetoelastic behavior of rare-earth non-centrosymmetric Sm7Pd3

Magnetic compounds possessing an intrinsic combination of near-zero magnetization with high magnetic anisotropy are highly desirable for spinronic applications and memory recording. A comprehensive study of Sm7Pd3 binary compound uncovered a unique combination of strong magnetoelastic behavior, very low net magnetization, and exceptionally high magnetic coercivity. The temperature-dependent X-ray synchrotron powder diffraction study indicates the abrupt changes in the compound's lattice parameters at the magnetic ordering temperature of TC=169 K, although the crystal structure remains non-centrosymmetric hexagonal Th7Fe3-type down to 6 K. Density functional theory calculations confirm high intrinsic magnetocrystalline anisotropy of Sm7Pd3, which explains the extremely large coercivity of the polycrystalline sample, up to Hcr = 130 kOe at 2 K. This discovery brings to life a novel class of highly anisotropic materials that are distinctly different from known spintronic materials, making them interesting future systems for magnetic memory research.

Effect of doping of organo-soluble carbon dots on ionic relaxation and conductivity of planar anchored cyanobiphenyl based nematic liquid crystal

We demonstrate here the striking effect of organo-soluble carbon dots (CDs, diameter ∼7- 8 nm) on the tunability of ionic relaxation and conductivity of the host, planar anchored thermotropic nematic liquid crystal (5CB, 4-Cyano-4′-pentylbiphenyl). The optical texture, frequency, temperature, and concentration dependent dielectric studies of pristine 5CB and CDs-5CB composites have been performed using the polarising optical microscope and high-resolution dielectric spectroscopy, respectively. The doping of 0.5 wt% CDs into planar anchored 5CB is resulted into the vertical alignment confirmed through the cross-polarised optical microscope. The doping of CDs in 5CB liquid crystal is resulted into an unprecedented faster ionic relaxation with an abatement of the ionic amplitude at room temperature. The shift in the relaxation frequency for 0.5 wt% CDs-5CB composite (induced vertical alignment) as compared to pristine 5CB (planar aligned) at 28 °C (nematic) is found to be ∼13 folds which is further increased to ∼18 folds at 38 °C (isotropic). A similar trend in the conductivity curve is also observed which further confirms the significant enhancement in conductivity value with increase in temperature and concentration of dopant CDs. The observation of enhanced ionic conductivity and faster ionic relaxation in CDs-5CB composites as compared to pristine 5CB are attributed to the complete change of planar to vertical alignment by doping of CDs on planar anchored liquid crystal sample cells. It appears that the plausible strong interaction between hydrocarbon chains of CDs and 5CB molecules through anchored substrate surfaces with increasing concentration of CDs and decrease in rotational viscosity of host 5CB with increasing temperature certainly plays a pivotal role in the tuning of ionic relaxation and conductivity in the liquid crystal sample cells. We certainly believe that our results would catalyze the cognizance of the ionic relaxation and conductivity in CDs-5CB composites and other related systems. Moreover, such composites with tunable ionic relaxation/conductivity would be certainly helpful in the fabrication of various tuneable devices such as wave front corrector, low frequency oscillation generators, dynamic light scattering, and so on.

(Poster Award - 2nd Place) Layer-Number Engineered Momentum-Indirect Interlayer Excitons with Large Spectral Tunability

The diversity of two-dimensional (2D) materials provides van der Waals heterostructures with abundant degrees of freedom and makes the family a promising candidate to realize novel optoelectronic devices and an attractive platform for exploring physical phenomena. Interlayer excitons in type-II van der Waals heterostructures are equipped with an oriented permanent dipole moment and long lifetime and thus would allow promising applications in excitonic and optoelectronic devices. However, in the widely studied van der Waals heterostructures constructed by transition metal dichalcogenides, the formation of interlayer excitons is limited by the lattice mismatch, rotational and translational alignment between the constituent layers, increasing the complexity of the device fabrication. Here, I will report on the robust momentum-indirect interlayer exciton emission with widely tunable emission energy via layer engineering in transition metal dichalcogenide/2D perovskite heterostructures. The transition metal dichalcogenides with different thicknesses and 2D perovskites with different layer numbers of the inorganic octahedral slabs are stacked to form type-II van der Waals heterostructures without considering special orientation arrangement and momentum mismatch. The presence of interlayer excitons is supported by the excitation-power- and temperature-dependent photoluminescence studies, photoluminescence excitation spectroscopy, time-resolved photoluminescence decay studies and electric field-dependent photoluminescence studies. Taking advantage of the thickness- or layer-number-dependence of the electronic band structure of the constituent materials, the emission energy of the interlayer excitons in our heterostructures can be tuned from 1.3 eV to 1.6 eV, providing strong evidence for the applications of van der Waals interface engineering to broad-spectrum optoelectronics. In addition, the diffusion coefficient of interlayer excitons in our heterostructures can be estimated to be ~10 cm2 s−1, which is at least one order of magnitude larger than that in the van der Waals heterostructures with Moiré superlattice, suggesting a non-localized nature that would be beneficial to the excitonic devices. Our study would offer new insights into the nature of interlayer excitons and provoke further research into their dynamics.

Exploring the potential of Sm3+-doped Sr2B2O5 phosphors for bridging the amber gap in w-LED application

A series of orange-red emitting Sr2(1-x)B2O5:2xSm3+(x = 0.5–3.0 mol%) phosphors have been synthesized via the self-propagating low-cost solution combustion method. The purpose of this study is to address the amber gap in light-emitting diodes (LEDs). X-ray diffraction technique was employed for structural analysis, which reveals the creation of a purely monoclinic phase having space group P21/a. The optical characteristics of synthesized Sr2B2O5:Sm3+ phosphor were investigated via Photoluminescence (PL) and UV–Vis spectroscopy. The findings of the PL studies indicate that the phosphors doped with Sm3+ ions exhibit distinct emission peaks at 565 nm, 604 nm, 649 nm, and 712 nm when excited by a wavelength of 404 nm. These peaks are ascribed to electronic transitions from 4G5/2 to 6HJ (J = 5/2, 7/2, 9/2, 11/2) energy levels. The temperature-dependent PL studies suggest that the synthesized phosphors display a remarkable thermal stability of 96.1 % and 90 % at 150 ℃ and 200 ℃, respectively. The Diffused Reflectance Spectrum was utilized to estimate the optical band gap energy. The CIE coordinates (0.6, 0.39) for the phosphors were found to be in the orange-red region exhibiting a towering color purity of 98.6 %. The aforementioned findings demonstrate the prepared phosphors will be an auspicious candidate for amber LEDs for automotive illumination.

Analysis of Battery Testing Protocols in the Transition from the Lab to the Field: A Test Case Using Advanced Zn-MnO2 Batteries in Off-Grid Solar Microgrids

Understanding cycling performance of batteries under varying conditions is crucial for continued development of emerging chemistries. Currently much of this work is focused on cycling single cells in well-controlled lab experiments. There are few module cycling studies in the open literature. Studies of full-sized fielded systems are even rarer. As a result of this data gap, there is limited understanding of how single cell cycling can be used to predict performance of fielded systems prior to their deployment.Sandia National Laboratories (SNL) recently deployed an advanced Zn-MnO2 secondary battery energy storage system in an off-grid solar plus storage system. Using this deployment as a test case, we will detail how performance and degradation for batteries can vary between the lab and the field. We will also discuss ways that single cell and module lab cycling can be improved to better predict operation in fielded systems.In preparation for this deployment, SNL conducted single cell cycling experiments in the lab to simulate operation in the field and determine the expected life of the systems. The first test program utilized elements of the IEC 61427-1 standard for photovoltaic off-grid application to simulate the temperature and predicted state of charge (SOC) range the cells will be cycled during field operation. The simulated field cycling targeted SOC ranges of 10 to 40% and 80-100% over 150 cycles with temperature varied between -4 and 35oC to match the ambient conditions in the field during each season. The second type of cycling test was a temperature dependence study to determine how temperature impacted cell degradation. Cells were cycled at C/10 at their full SOC range and at a single temperature until they reached 40% capacity retention. Both cycling studies predicted that low temperature operation would increase the rate of degradation.The system was deployed in May of 2022, and since that time the SNL team has collected a significant amount of performance data to help analyze system level behaviors as compared to observations from cell level testing. These include battery interactions with the solar charge controller, limitations on power inverter settings, and variance between the average system level state of charge and the test protocol. Additionally, the team is analyzing conditions found in the field, with regards to ambient temperature, solar insolation and battery charging rates, and customer usage patterns for comparison with cell-level testing protocol.Observations of the deployed system’s performance indicate there is a need for more nuanced testing protocols for lab testing that can better approximate field conditions. These may include dynamic temperature ranges that vary throughout a charge/discharge cycle, and solar charging assumptions that account for reduced insolation due to cloud cover. This can help further inform the development of charge control algorithms, system hardware and software that can help improve the overall performance of solar microgrid energy storage systems.Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2023-02502A

Dithiolate-Based Scorpion Arm Ligand Synthesis and Characterization

Redox flow batteries (RFBs) play a vital role in the efficient and reliable utilization of renewable energy sources by providing a means to capture and store excess energy for later use.1–6 The synthesis and characterization of a novel scorpionate arm ligand, i-mntPy- (2,2-dicyano-1-pyridin-2-ylmethyl-1,1-dithiolate), are presented in this study. The ligand i-mntPy- was synthesized through a multistep synthetic route, starting from commercially available precursors. The chemical structure of the ligand was confirmed using various spectroscopic techniques, including NMR spectroscopy, ESI-MS, and Elemental analysis. Furthermore, the coordination ability of i-mntPy- to facilitate 2e- transfer in M(II/IV) coordination environment was investigated by the computational study and addition of Ni(II) and Pd(II) ions in the i-mntPy- solution. The results demonstrate the successful synthesis and characterization of the novel scorpionate arm ligand i-mntPy-, which coordinates with d8 metal centers and holds promise for future applications in coordination chemistry and energy storage. References (1) Mazumder, Md. M. R.; Jadhav, R. G.; Minteer, S. D. Phenyl Acrylate-Based Cross-Linked Anion Exchange Membranes for Non-Aqueous Redox Flow Batteries. ACS Mater. Au 2023. https://doi.org/10.1021/acsmaterialsau.3c00044.(2) Rahaman Mazumder, M. M.; Islam, R.; Khan, M. A. R.; Anis‐Ul‐Haque, K. M.; Rahman, M. M. Efficient AcFc‐[Fe III (Acac) 3 ] Redox Couple for Non‐aqueous Redox Flow Battery at Low Temperature. Chem. – Asian J. 2023, 18 (1). https://doi.org/10.1002/asia.202201025.(3) Mazumder, Md. M. R.; Dalpati, N.; Pokkuluri, P. R.; Farnum, B. H. Zinc-Catalyzed Two-Electron Nickel(IV/II) Redox Couple for Multi-Electron Storage in Redox Flow Batteries. Inorg. Chem. 2022, 61 (48), 19039–19048. https://doi.org/10.1021/acs.inorgchem.2c03124.(4) Mazumder, Md. M. R.; Burton, A.; Richburg, C. S.; Saha, S.; Cronin, B.; Duin, E.; Farnum, B. H. Controlling One-Electron vs Two-Electron Pathways in the Multi-Electron Redox Cycle of Nickel Diethyldithiocarbamate. Inorg. Chem. 2021, acs.inorgchem.1c01699. https://doi.org/10.1021/acs.inorgchem.1c01699.(5) MAZUMDER MDMOTIURRAHAMAN, Islam R. Temperature-dependent study of AcFc-FeIII(acac)3 redox couple for non-aqueous redox flow battery. ChemRxiv. Cambridge: Cambridge Open Engage; 2022; https://doi.org/10.26434/chemrxiv-2022-3177p(6) Islam, R.; Mazumder, M. M. R.; Farnum, B. H. Solvent Dependent Spectroscopic and Electrochemical Studies of Nickel (II) Diethyldithiocarbamate for Energy Storage. ECS Meet. Abstr. 2021, MA2021-01 (1), 54–54. https://doi.org/10.1149/ma2021-01154mtgabs. Figure 1

Temperature Dependent EXAFS to Address Functional Mechanisms in Battery Materials

Increasing the contribution of renewable energy sources is necessary to meet the fast increase of global energy needs and match the CO2 reduction targets. In order to address these challenges, intensive research efforts are ongoing both in energy harvesting and storage technologies such as solar panels, fuel cells, supercapacitors and batteries. The latter are required to match the energy demand and supply; in fact, batteries are by far the most ubiquitous energy storage technology currently employed.Synchrotron x-ray spectroscopies have played a key role in the continuous development and breakthroughs in battery science, thanks to their capability to provide accurate information on electronic structure of the redox active element, local structure, and morphological information. In particular, X-ray absorption spectroscopy (XAS) is more and more employed for addressing battery materials [1]. Generally, XAS studies on battery materials are performed at a single temperature as a function of charge, to access information on the electrochemical behavior and charge transfer mechanism during the intercalation or deintercalation process. However, the fact that the charging/discharging process is expected to have direct influence on the bond length characteristics, strength and disorder, it is important to perform temperature dependence measurements to find a realistic correlation between the local structure and the battery characteristics. Indeed, temperature-dependent studies quantitatively allow to discriminate in between static and dynamic disorder, and to have direct access to the local force constant between the atom pairs. Here the interest of performing temperature dependent extended X-ray absorption fine structure (EXAFS) studies is highlighted by exploiting several examples. In Li and Mn-rich NMC cathodes temperature-dependent EXAFS investigation revealed the evolution of the lattice rigidity which directly affects the reversible anionic redox contribution [2-3]. Similar studies on Ti based MXene-type [4], NaxCoO2 [5], and V2O5 [6] electrode materials underline the importance of the local atomic correlations as limiting factor in the ion diffusion in battery materials.

Water-in-Salt: Fast Dynamics, Structure, Thermodynamics, and Bulk Properties.

We present concentration-dependent dynamics of highly concentrated LiBr solutions and LiCl temperature-dependent dynamics for two high concentrations and compare the results to those of prior LiCl concentration-dependent data. The dynamical data are obtained using ultrafast optical heterodyne-detected optical Kerr effect (OHD-OKE). The OHD-OKE decays are composed of two pairs of biexponentials, i.e., tetra-exponentials. The fastest decay (t1) is the same as pure water's at all concentrations within error, while the second component (t2) slows slightly with concentration. The slower components (t3 and t4), not present in pure water, slow substantially, and their contributions to the decays increase significantly with increasing concentration, similar to LiCl solutions. Simulations of LiCl solutions from the literature show that the slow components arise from large ion/water clusters, while the fast components are from ion/water structures that are not part of large clusters. Temperature-dependent studies (15-95 °C) of two high LiCl concentrations show that decreasing the temperature is equivalent to increasing the room temperature concentration. The LiBr and LiCl concentration dependences and the two LiCl concentrations' temperature dependences all have bulk viscosities that are linearly dependent on τcslow, the correlation time of the slow dynamics (weighted averages of t3 and t4). Remarkably, all four viscosity vs 1/τCslow plots fall on the same line. Application of transition state theory to the temperature-dependent data yields the activation enthalpies and entropies for the dynamics of the large ion/water clusters, which underpin the bulk viscosity.

Exploration of Variable Solvent Directed Self-Healable Supramolecular M(II)-Metallogels (M = Co, Ni, Zn) of Azelaic Acid: Investigating Temperature-Dependent Ion Conductivity and Antibacterial Efficiency.

Molecular self-assembly assisted self-healing supramolecular metallogels of azelaic acid with cobalt(II)-, nickel(II)-, and zinc(II)-based metal acetate salts were successfully fabricated. Individually, N,N'-dimethylformamide and dimethyl sulfoxide were immobilized within these distinctly synthesized soft-scaffolds of metallogels to attain their semisolid viscoelastic nature. Rheological experiments such as amplitude sweep, frequency sweep, and thixotropic measurements were executed for these metallogels to ratify their gel features. The different extents of supramolecular interactions operating within these solvent-directed metallogels were clearly reflected in terms of their distinct morphological patterns as investigated through field emission scanning electron microscopy. Comparative infrared (IR) spectral properties of metallogels along with individual metal salts and azelaic acid were analyzed. These experimental data clearly depict the significant shifting of Fourier transform (FT)-IR peaks of xerogel samples of different metallogels from the gel-forming precursors. The networks present within the soft-scaffold are evidently illustrated by the electrospray ionization-mass experimental data. The temperature-dependent ionic conductivity studies with these solvent-directed versatile metallogel systems were investigated through impedance spectroscopy. The temperature-dependent impedance spectroscopic studies clearly demonstrate that the ion-transportation within the gel matrix depends not only on the types of cations but also on the dielectric properties of the immobilized solvents. The antipathogenic effect of these metallogel systems has also been explored by testing their effectiveness against human pathogenic Gram-negative bacteria Klebsiella pneumoniae (MTCC 109) and Vibrio parahemolyticus, and Gram-positive bacteria like Bacillus cereus (MTCC 1272). These gel soft-scaffolds show no significant cytotoxicity against both the human neuroblastoma cell line-SH-SY5Y and the human embryonic kidney cell line-HEK 293.

Structural, dielectric and electrical transport properties of thermal stable (1-x)K0.5Bi0.5TiO3-xBaTiO3 ceramics

Polycrystalline samples of (1-x)K0.5Bi0.5TiO3 - xBaTiO3 [(1-x)KBT - xBT] were synthesized using a solid-state reaction pathway. X-ray diffraction analysis confirmed the presence of a single-phase perovskite structure. To explore relaxation and conduction mechanisms, complex impedance spectroscopy was employed. Reduction in Curie temperature was observed as BT content increased. The grain and grain boundary contributions to relaxation was examined through complex impedance and modulus plots and quantified via fitting experimental data to an equivalent circuit model. Examination of the Complex impedance spectra uncovered the existence of dielectric relaxation characteristic of a non-Debye nature. Furthermore, the activation energy determined suggests commonalities in governing the conduction and relaxation processes in relation to temperature-dependent conductivity and relaxation time. A negative temperature coefficient of resistance behaviour was obtained from the temperature-dependent conductive study. Dielectric spectra revealed that these ceramic capacitors are useful in reduction of signal interference, signal attenuation and impedance matching circuits applications.

WOx channel engineering of Cu-ion-driven synaptic transistor array for low-power neuromorphic computing

The multilevel current states of synaptic devices in artificial neural networks enable next-generation computing to perform cognitive functions in an energy-efficient manner. Moreover, considering large-scale synaptic arrays, multiple states programmed in a low-current regime may be required to achieve low energy consumption, as demonstrated by simple numerical calculations. Thus, we propose a three-terminal Cu-ion-actuated CuOx/HfOx/WO3 synaptic transistor array that exhibits analogously modulated channel current states in the range of tens of nanoamperes, enabled by WO3 channel engineering. The introduction of an amorphous stoichiometric WO3 channel formed by reactive sputtering with O gas significantly lowered the channel current but left it almost unchanged with respect to consecutive gate voltage pulses. An additional annealing process at 450 °C crystallized the WO3, allowing analog switching in the range of tens of nanoamperes. The incorporation of N gas during annealing induced a highly conductive channel, making the channel current modulation negligible as a function of the gate pulse. Using this optimized gate stack, Poole–Frenkel conduction was identified as a major transport characteristic in a temperature-dependent study. In addition, we found that the channel current modulation is a function of the gate current response, which is related to the degree of progressive movement of the Cu ions. Finally, the synaptic characteristics were updated using fully parallel programming and demonstrated in a 7 × 7 array. Using the CuOx/HfOx/WO3 synaptic transistors as weight elements in multilayer neural networks, we achieved a 90% recognition accuracy on the Fashion-MNIST dataset.

Near UV-photons excited highly pure and thermally stable Ca2B2O5: Sm3+ phosphor for filling the amber gap

Un-doped and a series of Sm3+ ion-doped orange-red emitting Ca2(1-x)B2O5:2xSm3+ (x = 0.005–0.025 mol) phosphors were synthesized and explored for their potential to fill the amber gap. Structural, thermal, spectral, luminescence, and temperature-dependent luminescence studies of the obtained phosphors were carried out to investigate the synthesized phosphors. The powder X-ray diffraction and Rietveld refinement results confirmed the formation of the monoclinic phase of Ca2B2O5. The room temperature photoluminescence study revealed that under 405 nm excitation, the prepared phosphor shows four characteristic emissions due to the 4f-4f transitions i.e.4G5/2 → 6H5/2 (568 nm), 6H7/2 (607 nm), 6H9/2 (650 nm) and 6H11/2 (712 nm). The color purity of the prepared phosphors was determined to be 97.7 % with the Commission International de l'Eclairage coordinates of (0.60, 0.40) that correspond to a strong orange-red emission located in the amber gap. Moreover, temperature-dependent luminescence studies depicted that the phosphor is highly stable, at 150 ℃ retaining 89 % of its luminescence intensity compared to room temperature. The thermal stability was further verified by thermogravimetric analysis of the phosphors which revealed high thermal stability with no weight loss upto 900 ℃. The quantum yield was determined on prepared samples and found to be 84.25 %. Thus, the promising experimental result suggests that the extremely stable orange-red emitting Ca2B2O5:Sm3+ phosphor can be a potential choice to fill the amber gap in light-emitting diodes.

Structural and dielectric properties of Y3+ doped SrTiO3: a novel anode materials for solid oxide fuel cell

An ongoing and elusive task is to create single phase anode materials for solid oxide fuel cells (SOFC). Compared to the typical Ni-YSZ cermet anode, perovskite oxide based anode material has a number of benefits. Here, we present the structural and electrical characteristics of Y3+ doped SrTiO3 ceramics that are used as the anode in solid oxide fuel cells. The samples with nominal composition x = 0 and 0.05 were synthesized by high energy ball milling. The powder X-ray diffraction pattern reveals that the synthesized samples crystallize into cubic crystal structure with space group Pm3m for both the compositions. The samples were sintered at a temperature of 1300 °C for 6h. The sintered density of the samples was found to be greater than 97%. The temperature dependent dielectric measurement studies reveal that dielectric constant increases with yttrium doping and shows relaxer behavior. A higher dielectric constant and electrical conductivity was observed for the Y-doped sample which fulfill the basic requirement for anode materials of solid oxide fuel cells.

Vapor growth of V-doped MoS2 monolayers with enhanced B-exciton emission and broad spectral response

Dynamically engineering the optical and electrical properties in two-dimensional (2D) materials is of great significance for designing the related functions and applications. The introduction of foreign-atoms has previously been proven to be a feasible way to tune the band structure and related properties of 3D materials; however, this approach still remains to be explored in 2D materials. Here, we systematically demonstrate the growth of vanadium-doped molybdenum disulfide (V-doped MoS2) monolayers via an alkali metal-assisted chemical vapor deposition method. Scanning transmission electron microscopy demonstrated that V atoms substituted the Mo atoms and became uniformly distributed in the MoS2 monolayers. This was also confirmed by Raman and X-ray photoelectron spectroscopy. Power-dependent photoluminescence spectra clearly revealed the enhanced B-exciton emission characteristics in the V-doped MoS2 monolayers (with low doping concentration). Most importantly, through temperature-dependent study, we observed efficient valley scattering of the B-exciton, greatly enhancing its emission intensity. Carrier transport experiments indicated that typical p-type conduction gradually arisen and was enhanced with increasing V composition in the V-doped MoS2, where a clear n-type behavior transited first to ambipolar and then to lightly p-type charge carrier transport. In addition, visible to infrared wide-band photodetectors based on V-doped MoS2 monolayers (with low doping concentration) were demonstrated. The V-doped MoS2 monolayers with distinct B-exciton emission, enhanced p-type conduction and broad spectral response can provide new platforms for probing new physics and offer novel materials for optoelectronic applications.Graphical abstract

Increased monocarbonate formation during long-term hydration of CAC-limestone binder by calcium sulfate addition – A temperature-dependent XRD study

The long-term hydration of a mix with and without gypsum addition was investigated at 10, 23 and 40 °C by QXRD analysis. In addition, thermodynamic modelling was performed on all systems using GEMS to determine the stable phase composition and the influence of water loss during hydration. The results show that the formation of conversion-sensitive phases such as CAH10 is accelerated at 10 °C and hindered at 23 and 40 °C by the addition of gypsum. Moreover, at all different temperatures, monocarbonate forms next to AH3 as the main hydrate phase and the final phase composition is reached after at least 14 d (at 23 °C and 40 °C already after 2 d). Formation of low amounts ettringite only occurs at 10 and 23 °C during the entire storage time. At 40 °C, however, ettringite is not observed, which is probably due to water loss in the mix until 2 d.

Local heterogeneities and order-disorder: An approach to tailor BaTi1-xZrxO3 ceramics properties

Zirconium-doped Barium Titanate with the formula, BaTi1-xZrxO3 (BZT) for 0 ≤ x ≤ 0.08 had been prepared by the modified solid-state reaction route. X-ray diffraction patterns (XRD) and structural refinement showed the formation of single and double phases for pure and Zr-substituted barium titanate, respectively. Pure barium titanate (BT) was found in the tetragonal phase. BZT-3 and BZT-5 had a mixture of tetragonal and orthorhombic phases. A mixture of orthorhombic and rhombohedral phases was present in BZT-8. The Raman analysis confirmed the existence of two oxygen octahedra of Ti and Zr for Zr-doped BT. The FESEM micrograph exhibited an increase in average grain size with Zr content. The temperature-dependent dielectric studies showed single-phase transitions for BT, two-phase transitions for BZT-3 and BZT-5, and three-phase transitions for BZT-8. XPS analysis confirmed the presence of undercoordinated Ti3+ions. The maximum dielectric constant of 5731 was obtained for BZT-3, which decreased linearly afterward. The maximum remanent polarization = 8.287 μC/cm2 was found for BZT-3. The energy storage efficiency ≥ 50.10 % makes all the compositions suitable for high energy density capacitors. Due to the presence of 90.63 % of the orthorhombic phase in BZT-5, the highest d33 = 164 pC/N was obtained. The UV–visible spectroscopy showed the signature of p-d and d-d transitions present in the ceramics due to disordering. The direct optical bandgap increased with the rise in Zr content.

Fluorine-free superhydrophobic PDMS-coated silica particles for oil–water separation and liquid marbles

In this paper, we report the fabrication of fluorine-free hydrophobic particles via grafting fluidic polydimethylsiloxane onto silica particles through a facile wet lab technique at room temperature. A cotton fabric coated with the prepared hydrophobic particles shows potential as a membrane to separate oil and water due to hydrophobic behavior (equilibrium water contact angle ~ 145°) and superoleophilicity. The hydrophobic nature of the fabric is varied only slightly after immersing the fabric in 1 M of acidic and basic solution for seven days and thus ensured the chemical stability of the fabric, whereas the physical stability examined via abrasion test elucidates minimal change in wettability even after 50 cycles of abrasion tests. The oil–water separation efficiency of the membrane made from particle-coated cotton fabric is found to be greater than 95% even after 50 cycles of usage for various oils. Further, these particles are used to cover aqueous droplets to create liquid marbles. The stability of the liquid marble is investigated against solution with different surface tension, pH values, and viscosity. The particles demonstrate the potential to create stable liquid marbles even when the surface tension of liquid is as low as ~ 32 mN m−1. In addition, the liquid marbles are created from aqueous solutions having pH values ranging from 1 to 14 and with liquids having viscosity over a wide range. The substrate temperature-dependent evaporation studies of the liquid marbles unambiguously elucidate the porous nature of the surface and manifest a temperature-dependent liquid marble height decrease in evaporation time scale.Graphical

Temperature-Dependent Kinetic Study of the Reactions of Hydrogen Atoms with H2S and C2H4S

A discharge-flow reactor combined with modulated molecular beam mass spectrometry technique was employed to determine the rate constants of H-atom reactions with hydrogen sulfide and thiirane. The rate constants for both reactions were determined at a total pressure of 2 Torr from 220 to 950 K under pseudo-first-order conditions by monitoring either consumption of H atoms in excess of H2S (C4H4S) or the molecular species in excess of atomic hydrogen. For H + H2S reaction, a suggested previously strong curvature of the Arrhenius plot was confirmed: kl = 8.7 × 10−13 × (T/298)2.87 × exp(−125/T) cm3 molecule−1 s−1 with a conservative uncertainty of 15% at all temperatures. Non-Arrhenius behavior was also observed for the reaction of H-atom with C2H4S, with the experimental rate constant data being best fitted to a sum of two exponential functions: k2 = 1.85 × 10−10 exp(−1410/T) + 4.17 × 10−12 exp(−242/T) cm3 molecule−1 s−1 with an independent of temperature uncertainty of 15%.