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We present the ab initio thermoelastic properties of body-centered cubic molybdenum under extreme conditions obtained within the quasi-harmonic approximation including both the vibrational and electronic thermal excitation contributions to the free energy. The quasi-harmonic temperature-dependent elastic constants are calculated and compared with existing experiments and with the quasi-static approximation. We find that the quasi-harmonic approximation allows for a much better interpretation of the experimental data, confirming the trend found previously in other metals. Using the Voigt–Reuss–Hill average, we predict the compressional and shear sound velocities of polycrystalline molybdenum as a function of pressure for several temperatures, which might be accessible in experiments. [ABSTRACT FROM AUTHOR]

The surface properties of nickel-based alloys with different alloying compositions against aggressively corrosive species were systematically evaluated by using the segregated and non-segregated models designed through first-principles calculations. The presence of typical VIB alloying elements such as chromium (Cr), molybdenum (Mo), and tungsten (W) elements near the nickel surface was identified to significantly enhance the surface adsorption of water molecules (H2O) and their decomposed products (OH, O, and H). The doping patterns and surface electronic structures were found to determine the adsorption diversity of these substances. Consequently, adsorbates containing oxygen were likely to induce the segregation tendencies of these selected alloying elements from the deep area of nickel toward the top-most surface layer (TSL). The electrode potential shifts of the surface Ni atom in the designed alloying systems, compared to the bare Ni (111) surface, were further calculated to identify the beneficial electrochemical performance of alloy surfaces in the absence/presence of various adsorbates. In vacuum, the locations of these alloying elements in the near-surface layers would more increase the electrode potential shifts, thereby delaying the dissolution of Ni atoms from metal substrates. Nevertheless, the presence of adsorbates led to notably negative electrode potential shifts for the Ni (111) surface, among which the decomposed products (hydroxyl and oxygen) were of the most passive effects on corrosion behavior of nickel. The detrimental effects of these adsorbates on surface stability would be effectively alleviated with the aid of atomic VIB alloying elements of nickel-based alloys, especially W segregation to the TSL regardless of the pH in aqueous environments. [ABSTRACT FROM AUTHOR]

By electric transport measurements on high-purity bulk molybdenum single crystals at helium-temperature, it is shown that when approaching the ideal metallic crystal structure, there are deviations from Ohm's law that can exceed 30% even at low current densities ≅ 3 A / m m 2. This is due to the intrinsic circular magnetic field of the measuring current in the range of B ≅ 1 mT , which generates a magnetoresistance according to the two-band conduction model. With increasing lattice vibrations and/or crystal defects, this inherent uncertainty finally reduces to immeasurably small values. Finally, Ohm's law for a nearly ideal lattice structure can be strictly exact only in the theoretical limiting case of an infinite lattice plane, because then the magnetic fields of all electrons of the current compensate to zero. [ABSTRACT FROM AUTHOR]

Since the form of the exact functional in density functional theory is unknown, we must rely on density functional approximations (DFAs). In the past, very promising results have been reported by combining semi-local DFAs with exact, i.e. Hartree–Fock, exchange. However, the spin-state energy ordering and the predictions of global minima structures are particularly sensitive to the choice of the hybrid functional and to the amount of exact exchange. This has been already qualitatively described for single conformations, reactions, and a limited number of conformations. Here, we have analyzed the mixing of exact exchange in exchange functionals for a set of several hundred isomers of the transition metal carbide, Mo4C2. The analysis of the calculated energies and charges using PBE0-type functional with varying amounts of exact exchange yields the following insights: (1) The sensitivity of spin-energy splitting is strongly correlated with the amount of exact exchange mixing. (2) Spin contamination is exacerbated when correlation is omitted from the exchange-correlation functional. (3) There is not one ideal value for the exact exchange mixing which can be used to parametrize or choose among the functionals. Calculated energies and electronic structures are influenced by exact exchange at a different magnitude within a given distribution; therefore, to extend the application range of hybrid functionals to the full periodic table the spin-energy splitting energies should be investigated. [ABSTRACT FROM AUTHOR]

Since the form of the exact functional in density functional theory is unknown, we must rely on density functional approximations (DFAs). In the past, very promising results have been reported by combining semi-local DFAs with exact, i.e. Hartree–Fock, exchange. However, the spin-state energy ordering and the predictions of global minima structures are particularly sensitive to the choice of the hybrid functional and to the amount of exact exchange. This has been already qualitatively described for single conformations, reactions, and a limited number of conformations. Here, we have analyzed the mixing of exact exchange in exchange functionals for a set of several hundred isomers of the transition metal carbide, Mo4C2. The analysis of the calculated energies and charges using PBE0-type functional with varying amounts of exact exchange yields the following insights: (1) The sensitivity of spin-energy splitting is strongly correlated with the amount of exact exchange mixing. (2) Spin contamination is exacerbated when correlation is omitted from the exchange-correlation functional. (3) There is not one ideal value for the exact exchange mixing which can be used to parametrize or choose among the functionals. Calculated energies and electronic structures are influenced by exact exchange at a different magnitude within a given distribution; therefore, to extend the application range of hybrid functionals to the full periodic table the spin-energy splitting energies should be investigated. [ABSTRACT FROM AUTHOR]

Molybdenum sulphide (2D-MoS 2) promises great potential as a hydrogen evolution (HER) catalyst, especially, when combined with conductive carbon supports like graphene oxide (GO) and carbon nanotubes (CNT). However, the hydrophobic nature of these carbon supports limits the catalytic potential of MoS 2. To overcome this, we introduced hydrophilic Nickel Boride (Ni 2 B) into GO/CNT electrodes (Ni 2 B-GO/CNT), enhancing wettability (Contact angle-25.3°) and HER activity. By hydrothermally depositing MoS 2 onto the hydrophilic Ni 2 B-GO/CNT electrode, we fabricated a self-supporting MoS 2 @Ni 2 B-GO/CNT electrode. The MoS 2 deposition led to the formation of MoS 2 @Ni 2 B-GO/CNT heterostructure with multiple interfaces, favoring interfacial electronic redistribution (XPS) to significantly improve the HER activity. Thus, the proposed MoS 2 @Ni 2 B-GO/CNT electrode exhibited an excellent durability of 100 h (97%) and an overpotential of 224 mV at 10 mA cm−2 in acidic medium. [Display omitted] • Hydrothermal growth of MoS 2 on Ni 2 B-GO/CNT to form a self-supporting electrode. • Hydrophilic Ni 2 B was incorporated into the GO/CNT matrix to enhance electrode wettability. • Enhanced HER catalytic activity from a heterostructure of MoS 2 with Ni 2 B, GO and CNT. • Excellent durability of MoS 2 @ Ni 2 B-GO/CNT was achieved for 100 h in acidic medium. [ABSTRACT FROM AUTHOR]

Orthorhombic stable phase of MoO 3 and Ni-doped MoO 3 with different weight percentages (2 %,5 % and 10 %) were successfully synthesized by following a surfactant free acid-assisted chemical co-precipitation method under optimized experimental conditions. Structural and compositional investigation using tools like X-ray diffraction and Raman spectroscopy verified the orthorhombic phase and structure quality of the prepared samples with findings from Raman consistent with those from XRD. The optical characteristics analysed using UV–Vis diffused reflectance spectroscopy and photoluminescence spectroscopy revealed that Ni2+ may act as a shallow acceptor at lower doping concentrations. It was observed that the structure and characteristics of MoO 3 dramatically altered as a function of Ni doping concentration, suggesting that Ni ions migrated from lattice substitution to grain boundaries. Images from field emission scanning electron microscope revealed the formation of layer-by-layer growth of micro-plate like morphology of the prepared samples with increasing agglomeration influenced by grain boundaries. EDAX spectrum confirmed the presence of Mo, O and Ni and their compositional proportion. Based on the properties analysed, the photocatalytic properties of the synthesized samples were analysed for degradation of Alizarin Red dye and kinetic studies were conducted. The optical characterization revealed defect induced emissions and the feasibility of MoO 3 acting as a photodetector was studied along with Ni-doping proving the versatility of material for multifunctional applications. [ABSTRACT FROM AUTHOR]

Water scarcity, combined with low soil fertility, constitutes one of the main limiting factors in crop productivity in semi-arid regions. However, nutritional supplementation techniques with nitrogen (N) and molybdenum (Mo) can lead to positive enhancements in the production of these crops. The objective was to evaluate the effect of increasing doses of N in the presence and/or absence of Mo on the activity of antioxidant enzymes and the productive increase of forage sorghum subjected to water deficit in the semi-arid region. The experiment was conducted in the field using a randomized block design, with four replications, in a 5 × 2 × 3 factorial scheme, comprising five doses of N (urea): 0, 50, 100, 150, and 300 kg ha−1, two doses of Mo (sodium molybdate): 0 and 160 g ha−1, and three production cycles. The highest yields of green mass (GM) (47.98 Mg ha−1), dry mass (DM) (19.66 Mg ha−1), water use efficiency (WUE) (5.57 kg/m³), and N use efficiency (NUE) (0.26 kg2/g) occurred at the highest N dosage (300 kg ha−1 N). The highest contents and extraction of total N, Mo, chloride (Cl), and potassium (K) were found in regrowth 2 and at the highest N dose (300 kg ha−1). The interaction of N and Mo resulted in higher catalase (CAT) enzyme activity. The meteorological conditions during the cycles strongly influenced the nutrient contents and extraction. The results of the study provide support for producers to use N and Mo fertilization strategies to improve crop productivity, even under water deficit conditions. [ABSTRACT FROM AUTHOR]

[Display omitted] • An electrocatalyst based on the Pt-MoO 3 /NiMoO 4 NRs has been fabricated for industrial-grade water splitting. • The electrolyzer using Pt-MoO 3 /NiMoO 4 NRs electrodes only required 1.55 V to achieve 10 mA cm−2. • Density functional theory calculations proved that the good synergy of the MoO 3 /NiMoO 4 and Pt benefited their catalytic performance. A new catalyst has been developed that utilizes molybdenum oxide (MoO 3)/nickel molybdenum oxide (NiMoO 4) heterostructured nanorods coupled with Pt ultrafine nanoparticles for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) toward industrial-grade water splitting. This catalyst has been synthesized using a versatile approach and has shown to perform better than noble-metals catalysts, such as Pt/C and RuO 2 , at industrial-grade current level (≥1000 mA·cm−2). When used simultaneously as a cathode and anode, the proposed material yields 10 mA·cm−2 at a remarkably small cell voltage of 1.55 V and has shown extraordinary durability for over 50 h. Density functional theory (DFT) calculations have proved that the combination of MoO 3 and NiMoO 4 creates a metallic heterostructure with outstanding charge transfer ability. The DFT calculations have also shown that the excellent chemical coupling effect between the MoO 3 /NiMoO 4 and Pt synergistically optimize the charge transfer capability and Gibbs free energies of intermediate species, leading to remarkably speeding up the reaction kinetics of water electrolysis. [ABSTRACT FROM AUTHOR]

Peanut optimal planting density is necessary to obtain the maximum yield. Also, peanut as heavy feeder of nutrients needs to be supplemented through foliar application and bio-fertilizer (BF) plays an important role in food safety and sustainable production. This experiment was done in Rasht, Iran, during the 2017–2018 and 2018–2019 cropping seasons and carried out as split-factorial based on randomized complete blocks design with three replications. Three planting densities including 83,333 (PD1), 100000 (PD2) and 125,000 (PD3) plants ha−1 in main plot, four levels of BF including no application of BF as control (Z0) as check, Rhizobium spp. (RB), Arbuscular mycorrhizal fungi (AMF) and the combined application of RB + AMF and three treatments of magnesium (Mg), molybdenum (Mo) and Mg + Mo as factorial 4 × 3 in sub plot, comprised experimental treatments. The tripartite interaction of PD2 × (RB+AMF) × (Mg+ Mo) produced the greatest seed yield (3515 kg ha−1), pod yield (4472 kg ha−1), biological yield (9380 kg ha−1), oil yield (1515 kg ha−1) and protein yield (793 kg ha−1). Also, the application of AMF along with Mo fertilizer increased the content of OA (58.51%) and SA (4.43%) in PD1 treatment. According to the results of this experiment, the inoculation of RB + AMF along with foliar application of Mg + Mo in PD2 treatment enhanced the SY of peanut and combined application of AMF and Mo improved oil quality in PD1 treatment and be recommended to enhance quantitative and qualitative yield of peanut under similar climatic conditions. [ABSTRACT FROM AUTHOR]

The nitrogen‐rich molybdenum nitrides (N/Mo > 1) are promising for water electrolysis due to their increased activity and antioxidant ability. However, a higher temperature is needed in the usual synthesis for introducing more N, leading to the formation of large particles and the difficulty in controlling the morphology, thus limiting their catalytic performance. Here, a new strategy is reported based on the synergy of internal/external N sources (INS and ENS) toward Mo5N6‐based catalysts at a decreased temperature of 450 °C. The PMo12 clusters and Ni2+ (Co2+) are first combined with 2‐methylimidazole/melamine (INS) to give a flower‐like assembly. The subsequent pyrolysis under NH3 flow (ENS) gives the flowers composed of small Mo5N6/Ni (Co) heterojunctional particles that can expose more surface sites with an optimized electronic structure. The Mo5N6/Ni exhibits good HER activity close to Pt/C, and Mo5N6/Co shows superior OER performance to IrO2. The Mo5N6/Ni||Mo5N6/Co cell drives overall water splitting (OWS) at a low voltage of 1.397/1.74 V to achieve a current density of 10/100 mA cm−2 in the 1.0 M KOH. An anion exchange membrane water electrolyzer (AEMWE) based on the catalysts can achieve a current density of 450 mA cm−2 at 1.8 V with a long‐term stability of 120 h. [ABSTRACT FROM AUTHOR]

To prepare Mg–Al-Nd alloys electrochemically, the electrochemical co-reduction mechanism of Mg(II), Al(III), and Nd(III) was probed in the LiCl-NaCl-MgCl2-AlF3 melts on a molybdenum electrode by means of various electrochemical measurement techniques, i.e., cyclic voltammetry, square wave voltammetry, chronopotentiometry, and open circuit chronopotentiometry. It was found that Nd could deposit on pre-deposited Al metal and form Nd-Al intermetallics in the LiCl-NaCl-NdCl3-MgCl2-AlF3 system, and the electrochemical signal related to the formation of ternary intermetallics was not detected. The co-reduction of Mg(II), Al(III), and Nd(III) was carried out on molybdenum electrode by galvanostatic electrolysis to prepare Mg–Al-Nd alloy, and samples were characterized by X-ray diffraction, scanning electron microscopy (SEM) with energy-dispersive spectrometry (EDS), and inductively coupled plasma-atomic emission spectrometry (ICP-AES). The results indicate that the alloy products were comprised of Al2Nd intermetallic, Mg and Al phases, and the Mg–Al compound was not observed in the alloys. [ABSTRACT FROM AUTHOR]

The influence of modernized three-electrode ion-plasma sputtering of a complex Fe–Si–B– (Cu, Nb)/(Ni, Mo) target on the structure and properties of sputtered films was studied. The formation of amorphous and nanocrystalline phases in Fe73Si15.8B7.2-(Cu, Nb)4 and Fe78.5Si6B14-(Ni, Mo)1.5 films with a coherent scattering region size of 1.6 nm and 12 nm, respectively, was established as a result of a modernized three-electrode ion - plasma sputtering. The thermal stability of metastable states of films as well as electrical and magnetic properties of freshly prepared and heat-treated films has been investigated. The conditions for obtaining films with low values of the temperature coefficient of electrical resistance (−0.9∙10−5 K−1) and coercive force (HC ∼11 A/m) have been determined. [ABSTRACT FROM AUTHOR]

The paper presents the first isotopic U–Pb study data (LA–ICP–MS method) of zircon from intrusive rocks of the Molo-Sarychat pluton situated along the deep-seated fault system of the "Nikolaev Line" in the eastern Kyrgyzstan. The intrusive rocks from this pluton belong to the high-potassic calc-alkaline to shoshonitic series. Intense Mo(–W–Cu–Au) (mainly molybdenum-porphyry) mineralization is spatially and genetically associated with this pluton. Together with the other Au, W and Cu deposits and occurrences, this mineralization is part of the extended metallogenic belt of Tien Shan; however, occurrences of molybdenum-porphyry mineralization are still rare in this belt. The concordant isotopic U–Pb ages of zircon autocrysts indicate the crystallization of quartz monzonite (293.3 ± 4.2 Ma) and monzogranite (286.6 ± 2.4 Ma) in the Early Permian. Zircon antecrysts dated at 306–320 Ma are also present. The crystallization age obtained corresponds to a post-collisional epoch of the development of this territory but the presence of the antecrysts expands the pluton emplacement to the Late Carboniferous-Early Permian, which, as a result, spanned over initially subduction-related and then post-collisional tectonic settings. Correspondingly, a post-collisional setting of the Mo(–W–Cu–Au) (molybdenum-porphyry) mineralization is established; it is related to the pluton studied and was formed after the emplacement of quartz monzonite (early stage) and monzogranite (late stage). Significant enrichment in Mo can be related to its progressing accumulation during magmatic differentiation causing the emplacement of quartz monzonite and especially monzogranite. These processes occurred under the more mature post-collisional tectonic regime, with possible formation of intermediate magma chambers in the Paleoproterozoic metamorphic rocks and ancient granitoids. The age dates determined for rocks from the Molo-Sarychat pluton are similar to those identified for the igneous and metasomatic rocks of the large Kumtor gold deposit that is also associated with the "Nikolaev Line." [ABSTRACT FROM AUTHOR]

Molybdenum (IV) sulfide is widely employed in electronic device applications. Recognized as one of the most efficacious methods for fabricating high-quality molybdenum (IV) sulfide, the chemical vapor deposition (CVD) method's application necessitates the development of a straightforward, swift and nondestructive characterization tool. Thus, this paper presents a rapid and reliable differential reflectance spectroscopy (DRS) instrumentation, grounded on the optical microscope, capable of characterizing two-dimensional materials prepared by CVD. This universal nondestructive identification tool facilitates the investigation of two-dimensional materials on both opaque and transparent substrates. MoS2 samples prepared by CVD were characterized on SiO2/Si and sapphire substrate. The results indicate that the exciton absorption peak can be accurately identified, validating the instrumentation's utility for material detection and monolayer identification. The characterization results, corroborated by the Raman spectra with a wavenumber difference of approximately 20 cm−1 and the triangular appearance of the optical image, affirm the application of this instrumentation. Ultimately, the DRS instrumentation provides a swift and nondestructive route to characterize physical properties such as bandgap and optical properties for two-dimensional materials. [ABSTRACT FROM AUTHOR]

A support vector machine regression (SVMR) model that integrates data preprocessing was devised for the determination of Mo in molybdenum ores. To eliminate the negative effects of spectral fluctuations and improve the computational efficiency, the model processes original measurements through the following steps: denoising via wavelet transform smoothing (WTS), debaselining via adaptive iteratively reweighted penalized least squares (airPLS), main characteristic peak extraction, elimination of abnormal spectral data via the box plot method, and normalization via min-max scaling. In this study, 255 characteristic peaks were selected from 17,916 spectral datasets, and the total number of datasets after removing the outliers was 491. The calibration curve approach was used to establish a univariate model. The limit of detection of Mo was 0.0080 wt%. The R2 value of the calibration curve was 0.6675. Linear regression (LR) and SVMR were used to establish a multivariate analysis model. Compared to that of the calibration curve approach, the determination coefficients (RP2) of LR and SVMR increased from 0.8034 to 0.9859 and 0.9941, respectively. The range of relative errors (REP) decreased from 0.21%–67.66% to 0.48%–18.46% and 2.65%–7.44%, respectively; the mean absolute error (MAEP) was decreased from 0.0173 wt% to 0.0048 and 0.0039 wt%, respectively; and the root mean square error (RMSEP) decreased from 0.0243 wt% to 0.0065 and 0.0042 wt%, respectively. These results indicate that the integration of SVMR with data preprocessing is suitable for the determination of Mo in molybdenum ores. [ABSTRACT FROM AUTHOR]

Isotope data of key pollutants are needed for source apportionment analysis in natural ecosystems. Isotope data for cadmium (Cd), a rare and dispersed but toxic element, are very limited mainly due to its low contents in the natural environment. In this study, for samples with low Cd content but high organic matter content, a dry ashing pre-treatment method was proposed to effectively enrich Cd to meet the requirements of its isotope analysis (Cd content > 20 ng). This method was applied to soils, sediments, biological tissues, and coal, with a maximum digestion weight of 1.67 g or more. With the assistance of quartz microfiber filter membranes during dry ashing, good Cd recovery (91.6--108.0%) and significant removal of organic matter were achieved. Mass bias was corrected by combining the silver external standard (Ag-doping) method with the sample-standard-bracketing (SSB) method, and Cd isotope measurements were performed under wet plasma conditions (with an accuracy of 0.060‰). Cd isotopic compositions obtained by the dry ashing method were compared with those obtained by the high-pressure bomb digestion method, and the differences ranged from -0.056 to 0.076‰, indicating that the dry ashing with wrapped membranes method did not cause any fractionation of Cd during the sample pre-treatment process. Meanwhile, the tolerance of tin (Sn) and zinc (Zn) elements provided a significant advantage under wet plasma conditions over dry plasma conditions without reducing the tolerance of molybdenum (Mo) and zirconium (Zr). The method developed in this study should enhance the application of Cd isotopes in investigating Cd cycling in primary ecosystems and organisms. [ABSTRACT FROM AUTHOR]

[Display omitted] Zinc metal anodes in aqueous electrolytes commonly face challenges such as dendrite growth and undesirable side reactions, limiting their application in the field of aqueous zinc-ion batteries (AZIBs) for energy storage. Drawing inspiration from industrial practices involving molybdenum salt solutions for metal modification, a polyoxometalate solution was formulated as a passivation solution for zinc anodes (referred to as MO solution). The formed passivation layer, referred to as the MO layer, exhibited a uniform and protective nature with a thickness of approximately 10 μm. The experimental results demonstrated that this passivation layer effectively suppressed side reactions at the zinc anode interface, as evidenced by lower corrosion current density for MO-Zn anodes. Additionally, the newly plated Zn was uniformly deposited atop the MO layer, ensuring coating integrity and inhibiting dendrite growth. As a result, under more demanding conditions such as a larger current of 8 mA cm−2, the MO-Zn anode displayed an extended cycle life exceeding 420 h in a symmetric battery, with an overpotential as low as 98 mV. This performance significantly outperformed that of commercially available pure Zn foils (with a cycle life of 60 h and an overpotential of 192 mV). Notably, a self-made Na-doped V 2 O 5 served as the cathode (referred to as NaVO), forming the MO-Zn//NaVO full battery. Even under high current test conditions of 2 A/g, the specific capacity of the MO-Zn//NaVO full battery remained substantial at 152.83 mAh/g after 1000 cycles. Furthermore, pouch batteries assembled with NaVO//MO-Zn successfully illuminated small bulbs. This study offers a viable optimization strategy for AZIB anodes and demonstrates the potential of using polyoxometalate solution for etching zinc anodes to inhibit dendrite growth and interfacial corrosion of zinc metal anodes. [ABSTRACT FROM AUTHOR]

[Display omitted] • MoAl 1-x B MBene is demonstrated to be a robust support for loading Ru nanoparticles. • Ru/MoAl 1-x B achieves the superior catalytic performance towards hydrogen generation. • Mechanism of AB hydrolysis over Ru/MoAl 1-x B is systematically investigated. • This is a first example to demonstrate MBene for boosting AB hydrolysis. The coordination between carrier and active metal is critical to the catalytic efficiency of ammonia borane (AB) hydrolysis reaction. In the present study, we report a new type of catalytic support based on molybdenum boride (MBene) MoAl 1-x B and demonstrate that the effective combination of MoAl 1-x B with Ru nanoparticles can realize the significantly enhanced performance for hydrogen generation. Owing to the efficient activation and dissociation of reactants, the optimal Ru/MoAl 1-x B catalyst achieves the large turnover frequency of 494 mol H2 mol Ru -1 min−1, high hydrogen generation rate of 119817 mL min−1 g Ru -1 and favorable apparent activation energy of 39.2 kJ mol−1 for the catalytic hydrolysis of AB under alkaline-free condition. The isotopic test suggests the cleavage of O H bond in H 2 O is the rate-determining step for hydrolysis reaction, while the fracture of B–H bond in AB is also well revealed by attenuated total reflectance (ATR)-Fourier transform infrared (FTIR) spectroscopy. Significantly, the flexible on-demand hydrogen generation is achieved by using chemical switches for on–off AB hydrolysis. This study provides a new support platform based on two-dimensional MBene to exploit efficient catalysts to boost AB dehydrogenation. [ABSTRACT FROM AUTHOR]

Novel charge distribution regulation strategy for Mo 2 C, the relationships of Interface-Structure-Property in heterostructures were clarified, facilitating efficient adsorption-catalysis of Li 2 S x (1≤x≤4) [Display omitted] • A novel electronic distribution regulation strategy (Mo-Mo 2 C heterostructure) for molybdenum carbide was developed. • The relationship of the heterointerfaces-structure–property in Mo-Mo 2 C has been clarified. • The modulation of the intrinsic electronic distribution of Mo 2 C results higher adsorption energy for lithium polysulfides (LiPSs) and stronger Mo-S bonding strength. • The sulfur cathode with C@Mo-Mo 2 C an excellent high-rate cyclic performance accompanied by capacity decay rate of 0.08 % per cycle after 400 cycles at 2 C. Heterostructure engineering is considered a crucial strategy to modulate the intrinsic charge transfer behavior of materials, enhance catalytic activity, and optimize sulfur electrochemical processes. However, parsing the role of heterogeneous interface-structure–property relationships in heterostructures is still a key scientific issue to realize the efficient catalytic conversion of polysulfides. Based on this, molybdenum carbide (Mo 2 C) was successfully partial reduced to molybdenum metal (Mo) via a thermal reduction at high-temperature and the typical Mo-Mo 2 C-based Mott-Schottky heterostructures were simultaneously constructed, which realized the modulation of the electronic structure of Mo 2 C and optimized the conversion process of lithium polysulfides (LPS). Compared with single molybdenum carbide, the modulated molybdenum carbide acts as an electron donor with stronger Mo-S bonding strength as well as higher polysulfide adsorption energy, faster Li 2 S conversion kinetics, and greatly facilitates the adsorption → catalysis process of LPS. As a result, yolk-shell Mo-Mo 2 C heterostructure (C@Mo-Mo 2 C) exhibits excellent cycling performance as a sulfur host, with a discharge specific capacity of 488.41 mAh g−1 for C@Mo-Mo 2 C/S at 4 C and present an excellent high-rate cyclic performance accompanied by capacity decay rate of 0.08 % per cycle after 400 cycles at 2 C. Heterostructure-acting Mo 2 C electron distribution modulation engineering may contributes to the understanding of the structure-interface-property interaction law in heterostructures and further enables the efficient modulation of the chemical behavior of sulfur. [ABSTRACT FROM AUTHOR]

[Display omitted] Developing a high-activity and low-cost catalyst to reduce the anodic overpotential is essential for hydrogen production from water splitting. In this work, a hetero-structured Co 7 Fe 3 /Mo 2 C@C catalyst has been developed to efficiently catalyze oxygen evolution reaction (OER), the overpotential (ƞ 10) of Co 7 Fe 3 /Mo 2 C@C-catalyzed OER with current density of 10 mA/cm2 is about 254 mV, substantially lower than the counterparts of Co 7 Fe 3 @C-catalyzed OER (ƞ 10 , 308 mV) and Mo 2 C@C-catalyzed OER (ƞ 10 , 439 mV), close to that of OER catalyzed by commercial RuO 2. The mechanistic studies reveal that the distinct electron transfer across the Co 7 Fe 3 /Mo 2 C interface results in electron-deficient Co 7 Fe 3 , which has been identified as the highly active catalytic sites. Density functional theory (DFT) calculations manifest that Mo 2 C induces a distinct decrease in electron density on Co 7 Fe 3 and upgrades the d -band centers of Co and Fe in Co 7 Fe 3 towards Fermi energy level, thus substantially lowering the energy barrier of the rate-determining reaction step and conferring significantly improved OER activity on the Co 7 Fe 3 /Mo 2 C@C catalyst. [ABSTRACT FROM AUTHOR]

Organic-inorganic hybrid perovskites like methylammonium lead iodide (MAPbI3) have received extensive attention in solar energy conversion due to their superb optoelectronic properties. However, the serious charge recombination at the nanoscale domain and the lack of catalytic sites on the perovskite's surface seriously limit their photocatalytic hydrogen evolution activities. Taking MAPbI3 as a typical example, we show that coupling amorphous molybdenum phosphide (MoP) cocatalyst with MAPbI3 can significantly enhance the photocatalytic H2 evolution performance of MAPbI3. The MoP coupling can accelerate the electron extraction from MAPbI3 and promote the hydrogen evolution reaction catalysis. Consequently, the photocatalytic hydrogen evolution activity of MoP/MAPbI3 is ca. 97 times higher than that of bare MAPbI3. Moreover, the MoP/MAPbI3 exhibits good stability during cycling tests. This work demonstrates the possibility of employing amorphous MoP as a non-noble metal-based cocatalyst in a hybrid perovskite-based photocatalytic hydrogen production reaction. Methylammonium lead iodide (MAPbI3) loaded with molybdenum phosphide (MoP) cocatalyst demonstrates 97 times higher photocatalytic hydrogen evolution activity than bare MAPbI3 from HI splitting reaction under visible light irradiation. [ABSTRACT FROM AUTHOR]

BACKGROUND: To investigate the recovery of molybdate from water and hydrodesulfurization catalysts, a novel synthesized phosphonate Schiff base, 4,4′‐(((2,2‐dimethylpropane‐1,3‐diyl) bis(azaneylylidene)) bis(methaneylylidene)) bis(2‐methoxyphenol) (HMI) and 4‐(((3‐((4‐(((S)‐hydroxyhydrophosphoryl)oxy)‐3‐methoxybenzylidene) amino)‐2,2‐dimethylpropyl)imino)methyl)‐2‐methoxyphenyl hydrogen phosphonate (HIMP), was utilized. This study aimed to assess the structural and property aspects of this synthesized compound using diverse characterizations, including FTIR, Thermogravimetric Analysis (TGA), mass spectrometry (GC–MS), fluorescence transfer spectra, scanning electron microscopy (SEM), and 1H‐NMR, 13C‐NMR, and 31P‐NMR. RESULTS: The study systematically examined several factors controlling molybdate recovery, including temperature, adsorbent dosage, pH, interaction time, and molybdate concentration using the batch technique. Optimal sorption effectiveness was achieved at pH 2, with an interaction time of 40 min, a 0.06 g adsorbent dose, at ambient temperature. The newly devised adsorbent exhibited an impressive adsorption capacity (Qe) of 372.54 mg of Mo per gram, with empirical data fitting the Langmuir and D‐R adsorption models. The kinetics of molybdate uptake followed second‐order kinetics. Thermodynamic aspects, including ΔG°, ΔS°, and ΔH°, were also investigated, providing appreciated perceptions into the energetic dynamics of the sorption process. Additionally, molybdate adsorption in the occurrence of other ions was explored, highlighting the selectivity of the modified phosphonate Schiff base for molybdate removal. CONCLUSION: The study underscores the potential of the modified phosphonate Schiff base as a crucial adsorbent for molybdate elimination from both solutions and spent hydrodesulfurization catalysts. The findings offer important insights into the adsorption kinetics, thermodynamics, and selectivity of the adsorbent, enhancing our understanding of molybdate recovery processes and their broader applications. © 2024 Society of Chemical Industry (SCI). [ABSTRACT FROM AUTHOR]

This analysis is framed to take care of the high heat transfer demand from various application prospects and in this context nanofluid may be in consideration because nanofluids are well-known liquids with higher heat transfer capabilities. Here, a mixed convection flow of Molybdenum disulfide-water (MoS2-H2O) nanofluid on a moving vertical plate is examined when there are chemical reactions. Nanofluid problem is investigated using Tiwari and Das model, and numerically solved by "bvp4c" method. For the considered effects in the study, overshoots in temperature profile of nanofluid are observed. Momentum and thermal layer thicknesses become thinner with suction and thicker with blowing. Temperature overshoot is higher for blowing cases. Enhanced homogeneous–heterogeneous reactions lead to rise of the concentration boundary layer's thickness. Also, magnitude of surface-drag force decays and cooling rate enhances with MoS2-H2O nanofluid mixed convection. For weaker suction and for blowing, cooling of nanofluid is faster with larger volume fraction of nanoparticles, but contrast results are obtained for greater suction. Importantly, compared to the homogeneous reaction, the heterogeneous reaction exhibits more impactful influences on flow and heat-mass transport characters. [ABSTRACT FROM AUTHOR]

The urgent development of economically practical and sustainable electrocatalysts to accelerate the hydrogen evolution reaction (HER) is critical for solving the pressing issues related to carbon dioxide emissions. Because of their platinum-like catalytic efficiency, excellent stability, and multidimensional structure of their crystal phases, molybdenum phosphides have emerged as extremely promising HER electrocatalysts. In this account, we begin with a meticulous explication of the hydrogen-generating process by water electrolysis, followed by an examination of the criteria used to assess HER catalytic activity. Also, the role of the phosphorus component and synthetic routes of molybdenum phosphides is presented in HER applications. Moreover, in recent years, various strategies designed to enhance the HER performance of molybdenum phosphides have been introduced, encompassing state-of-the-art techniques such as the fabrication of heterostructures, hetero-atom doping, hybrid structures involving carbon materials, and defect engineering. Furthermore, the theoretical studies based on density functional theory (DFT) are mentioned for HER. The paper concludes by emphasizing the current challenges and auspicious prospects in advancing electrocatalysts for hydrogen production, with a dedicated focus on catalysts based on molybdenum phosphides. • Outstanding features of molybdenum phosphides were presented. • Various methods were introduced in the fabrication of molybdenum phosphides. • Enhancement strategies in HER efficiency of molybdenum phosphides were discussed. • Current challenges and possible solutions on molybdenum phosphides-based HER electrocatalyst were provided. • DFT works of molybdenum phosphides on HER were presented. [ABSTRACT FROM AUTHOR]

The study investigates biometric indicators of assimilation and reproductive organs of coniferous and deciduous trees in urban environments: leaf area, inflorescence flower count, stipule length of Tilia cordata Mill. and needle length and weight of Scots pine (Pinus sylvestris L.). Samples of wood, needles, leaves and soil from the planting sites were analysed for 17 chemical elements, including Hazard Class I elements (Arsenic, Lead, Cadmium, Mercury, Selenium) and Hazard Class II elements (Chromium, Cobalt, Nickel, Copper, Molybdenum, Antimony). Tree plantations decreased airborne dust by 30–40% compared to open areas. Concentrations of PM2.5 and PM10 particles showed a direct correlation with busy roads (p < 0.05). In instances of environmental degradation, healthy trees exhibited in needle an increase in biomass and a reduction in weight and length. Consequently, forestry measurements and the impact of the urban environment require specific and individual monitoring of trees, rather than a general assessment of plantations. [ABSTRACT FROM AUTHOR]

Ammonia (NH3), a cornerstone in the chemical industry, has historically been pivotal for producing various valuable products, notably fertilizers. Its significance is further underscored in the modern energy landscape, where NH3 is seen as a promising medium for hydrogen storage and transportation. However, the conventional Haber–Bosch process, which accounts for approximately 170 million ton of NH3 produced globally each year, is energy‐intensive and environmentally damaging. The electrochemical nitrogen reduction reaction (NRR) emerges as a sustainable alternative that operates in ambient conditions and uses renewable energy sources. Despite its potential, the NRR faces challenges, including the inherent stability of nitrogen and its competition with the hydrogen evolution reaction. Transition metals, especially ruthenium (Ru) and molybdenum (Mo), have demonstrated promise as catalysts, enhancing the efficiency of the NRR. Ru excels in catalytic activity, while Mo offers robustness. Strategies like heteroatom doping are being pursued to mitigate NRR challenges, especially the competing hydrogen evolution reaction. This review delves into the advancements of Ru and Mo‐based catalysts for electrochemical ammonia synthesis, elucidating the NRR mechanisms, and championing the transition towards a greener ammonia economy. It also seeks to elucidate the core principles underpinning the NRR mechanism. This shift aims not only to address challenges inherent to traditional production methods but also to align with the overarching goals of global sustainability. [ABSTRACT FROM AUTHOR]

MXene Ti3C2T x (30% HF-etched, named Ti3C2T x -30) plays a pivotal role in the substantial enhancement of the structural modification of molybdenum trioxide (MoO3). Additionally, as the surface MoO3 molecules come into contact with reducing gas moieties, they actively participate in gas sensing at room temperature. The percentage of Ti3C2T x -30 in the MoO3 matrix was varied at 10%, 20%, and 40%, denoted as MM-10, MM-20, and MM-40, respectively. Structural analysis confirmed the composition of the basic elements and evolution of TiO2 at a higher percentage of Ti3C2T x -30. Spectroscopy analysis showed the interactions between Ti3C2T x -30 and MoO3, showcasing work functions of 6.91 eV, 6.75 eV, and 7.21 eV for MM-10, MM-20, and MM-40, respectively, confirming MM-20 to be an optimum composition. When the samples were exposed to ammonia gas, MM-20 showed a high response (93% for 100 ppm) at room temperature, with a response time of ∼10 s. Compared to bare MoO3, these samples showed ten-fold improvement. The excess electrons on the surface of Ti3C2T x -30 facilitate the formation of O2− species, which also provides stability to the otherwise highly reactive MXene surface. These species actively react with ammonia molecules in the presence of adsorbed MoO3, thereby changing the resistance of the system. This can be a significant step towards imparting high gas sensitivity to metal oxides at room temperature via incorporation of an optimum percentage of optimized Ti3C2T x. [ABSTRACT FROM AUTHOR]

The Chinese yam (Dioscorea polystachya, DP) is promising for the food and pharmaceutical industries due to its nutritional value and pharmaceutical potential. Its proper cultivation is therefore of interest. An insufficient supply of minerals necessary for plant growth can be manifested by discoloration of the leaves. In our earlier study, magnesium deficiency was excluded as a cause. As a follow-up, this work focused on manganese and molybdenum. To quantify both minerals in leaf extracts of DP, analytical methods based on atomic absorption spectrometry (AAS) using the graphite furnace sub-technique were devised. The development revealed that the quantification of manganese works best without using any of the investigated modifiers. The optimized pyrolysis and atomization temperatures were 1300 °C and 1800 °C, respectively. For the analysis of molybdenum, calcium proved to be advantageous as a modifier. The optimum temperatures were 1900 °C and 2800 °C, respectively. Both methods showed satisfactory linearity for analysis. Thus, they were applied to quantify extracts from normal and discolored leaves of DP concerning the two minerals. It was found that discolored leaves had higher manganese levels and a lower molybdenum content. With these results, a potential explanation for the discoloration could be found. [ABSTRACT FROM AUTHOR]

1,2,3,4,5-pentathiepines (PTEs) are naturally occurring polysulfides of increasing scientific interest based on their identified pharmacological activities. Artificial PTEs with N-heterocyclic backbones are efficiently synthesized via mediation by a molybdenum–oxo-bistetrasulfido complex. A common feature of all precursor alkynes successfully used to date in this reaction is the presence of a –CH(OEt)2 group since the previously postulated mechanism requires the presence of one OEt– as the leaving group, and the second must become a transient ethoxonium moiety. This raised the question of whether there really is a need for two, maybe only one, or possibly even zero ethoxy substituents. This research problem was systematically addressed by respective variations in the precursor-alkyne derivatives and by employing one related allene species. It was found that the total absence of ethoxy substituents prevents the formation of PTEs entirely, while the presence of a single ethoxy group results in the possibility to distinctly functionalize the position on the resulting N-heterocyclic pyrrole five ring in the target compound. This position was previously exclusively occupied by an –OEt for all products of the molybdenum-mediated reaction. The allene was applied with similar success as precursor as with the related alkyne. The now-employable significant change in precursor composition gives access to a whole new PTE subfamily, allowing further modulation of (physico)-chemical properties such as solubility, and provides additional insight into the mechanism of PTE formation; it comprises a merely partial validation of the previous hypothesis. The new alkyne precursors and pentathiepines were characterized by a variety of instrumental analyses (NMR, mass spec, UV–vis) and in six cases (one alkyne precursor, one unexpected side product, and four PTEs) by single-crystal X-ray diffraction. Syntheses, isolation procedures, analytical data, and the impact of the findings on the previously proposed mechanism are described in detail herein. [ABSTRACT FROM AUTHOR]

A study was carried out to determine the concentration of heavy metals and trace elements in milk and dairy products collected from local farms, supermarkets, or food retailers in the region of Lazio (Central Italy). Persistent exposure to metal contamination is of particular concern for human health, as it can cause different serious disorders. The monitoring of the matrices studied is therefore important, given their high consumption in the daily diet. The elements determined by ICP-MS (Inductively Coupled Plasma – Mass Spectrometry) were lead (Pb), arsenic (As), mercury (Hg), cadmium (Cd), chromium (Cr), nickel (Ni), molybdenum (Mo) and thallium (Tl), for a total of 151 measurements in 98 samples. The results showed that 11.3% of the measurements were quantifiable but below the legal maximum limits (MLs) set by EU regulations. The data obtained may be useful for dietary exposure information, inter-regional comparisons and for planning regional surveillance strategies. [ABSTRACT FROM AUTHOR]

The first molybdenum triazolylidene complexes catalyzing the atom‐economical synthesis of quinolines through acceptorless dehydrogenative coupling of alcohols is reported. A new family of Mo(0) complexes bearing chelating bis‐1,2,3‐triazolylidene, pyridyl‐1,2,3‐triazolylidene, and bis‐triazole ligands have been prepared and applied as catalysts for the synthesis of quinolines. Interestingly, Mo complexes bearing bis‐1,2,3‐triazolylidene ligands with alkyl groups (Et, n‐Bu) displayed superior catalytic activities than those containing aryl substituents on the triazolylidene rings. Control experiments corroborated that the catalytic reaction involves the dehydrogenation pathway. [ABSTRACT FROM AUTHOR]

Bioresorbable electrochemical sensors remain mostly unexplored despite their ability to provide continuous in situ measurements of critical biomarkers. The primary challenge arises from the direct exposure of the electrodes' thin metal films to biofluids, which poses difficulties in ensuring both proper operational lifetimes and sensing performance. Molybdenum (Mo) presents itself as a promising biometal due to its uniquely gradual dissolution in biofluids, facilitated by the formation of a slower‐dissolving MoOx surface layer. Consequently, carefully engineered MoOx films can endow transient electrochemical sensors with unparalleled stability during extended operational lifetimes. Herein an unprecedented sensor architecture achieved via the unique pairing of sputtered Mo and MoOx thin films, probed as a pH and dissolved oxygen sensor is reported. Compared to a bare Mo electrode, a bilayer Mo+MoOx electrode subjected to post‐deposition annealing (400 °C, 60 min, N2 environment) displayed a largely improved stability (>24 h) in solution and demonstrated predictable functionality during ongoing film dissolution at 37 °C. Collectively, this work establishes a pioneering strategy for the fabrication of reliable and clinically relevant implantable electrochemical sensors. [ABSTRACT FROM AUTHOR]

Molybdenum (Mo) is an essential micronutrient required for plant growth but is prone to leaching from neutral and alkaline soils. The use of slow-release Mo sources could potentially reduce leaching losses from soils and increase crop yields. In this study, we assessed mechanochemistry as a green method to produce slow-release Mo sources. Molybdenum compounds (MoO3 or (NH4)6Mo7O24·4H2O) were mechanochemically (MC) treated with ZnO to synthesize compounds with a Mo content of 1–36%. Reduced Mo solubility after MC treatment, compared to the initial Mo source, was obtained with the MoO3 source and these composites were used for co-compaction with macronutrient fertilizers. Macronutrient pellets with 0.2% Mo were compacted using the 4% Mo and 36% Mo (characterized as ZnMoO4) compounds. A column dissolution test showed that the 4% Mo compound in a macronutrient carrier (DAP and MAP) only released around 40% of the total Mo compared to 80% for a non-MC treated control over 72 h. Column leaching using two soils revealed that the release behavior of Mo was strongly related to the pH of the leachate, which was affected by both the soil pH and the macronutrient carrier. More Mo was released when the MC-treated compound was co-compacted with diammonium phosphate (DAP) compared to monoammonium phosphate (MAP). The MC-treated compound with 4% Mo showed significantly less leaching than the control without ball milling when co-compacted with both MAP and DAP. In a pot trial with simulated leaching, the uptake of Mo was greater for the MC-treated 4% Mo compound co-compacted into DAP than for the other Mo sources. Overall, our results indicate that MC-treated MoO3–ZnO could be used as a slow-release Mo source in high-rainfall areas. [ABSTRACT FROM AUTHOR]

Molybdenum disulphide (MoS 2) has been widely studied as a potential alternative to Pt/C catalysts for hydrogen evolution reactions (HER) in acidic conditions. However, the limited electron transfer capability and poor conductivity restrict further improvement of the HER activity. Herein, a novel bimetallic Ti 2 VC 2 T x MXene/MoS 2 heterojunction was fabricated by hydrothermal method. In addition, hydroxylated carbon nanotubes (CNTs) was incorporated to increase its conductivity and structural stability. The as-prepared Ti 2 VC 2 T x /MoS 2 -CNTs electrocatalyst was characterized and the HER performance were investigated in acidic media. The effects of different weight ratio of Ti 2 VC 2 T x to ammonium molybdate tetrahydrate (AMT), catalyst mass loading, and CNTs dosage on the HER activities of Ti 2 VC 2 T x /MoS 2 -CNTs were optimized. The optimal electrocatalyst exhibits superior HER properties in 0.5 M H 2 SO 4 electrolyte with an overpotential of 183 mV at a current density of 10 mA∙cm−2, a Tafel slope of 83 mV∙dec−1, a double-layer capacitance (C dl) value of 160 mF cm−2, as well as satisfactory long-term stability. This study provides an intentional exploration for developing bimetallic MXene based HER electrocatalysis application. [Display omitted] • A novel bimetallic Ti 2 VC 2 T x MXene/MoS 2 heterojunction was fabricated by hydrothermal method. • Hydroxylated carbon nanotubes was incorporated to increase the conductivity and structural stability. • The optimal catalyst exhibits superior HER activity in 0.5 M H 2 SO 4 electrolyte. • An overpotential of 183 mV at 10 mA∙cm−2, Tafel slope of 83 mV∙dec−1 and C dl of 160 mF cm−2 are achieved. [ABSTRACT FROM AUTHOR]

The (Bu4N)2[{Mo6I8}(CN)5(OEt)]·2H2O and (Bu4N)2[{W6I8}(CN)4(OEt)2]·H2O·EtOH cluster complexes are prepared by the reaction of (Bu4N)2[{M6I8}I6] (M = Mo, W) with NaCN in ethanol and subsequent recrystallization from an aqueous ethanol solution. The structure of both compounds is determined by XRD. The external ligand environment of the anions contains CN– and OEt– ligands. The behavior of the complexes in an aqueous solution is studied by electron spectroscopy. [ABSTRACT FROM AUTHOR]

• The combined toxicity of Mo and Cd was evaluated in duck ovaries. • Mo and/or Cd led to trace element imbalance and ovarian injury. • Mo and/or Cd disturbed Th1/Th2 balance and polarized towards Th1. • Mo and/or Cd could activate ER stress-mediated necroptosis. • Mo and Cd could aggravate ovarian toxic damage. Cadmium (Cd) and excess molybdenum (Mo) pose serious threats to animal health. Our previous study has determined that Cd and/or Mo exposure can cause ovarian damage of ducks, while the specific mechanism is still obscure. To further investigate the toxic mechanism of Cd and Mo co-exposure in the ovary, forty 8-day-old female ducks were randomly allocated into four groups for 16 weeks, and the doses of Cd and Mo in basic diet per kg were as follows: control group, Mo group (100 mg Mo), Cd group (4 mg Cd), and Mo + Cd group (100 mg Mo + 4 mg Cd). Cadmium sulfate 8/3-hydrate (CdSO 4 ·8/3H 2 O) and hexaammonium molybdate ((NH 4) 6 Mo 7 O 24 ·4H 2 O) were the origins of Cd and Mo, respectively. At the 16th week of the experiment, all ovary tissues were collected for the detection of related indexes. The data indicated that Mo and/or Cd induced trace element disorders and Th1/Th2 balance to divert toward Th1 in the ovary, which activated endoplasmic reticulum (ER) stress and then provoked necroptosis through triggering RIPK1/RIPK3/MLKL signaling pathway, and eventually caused ovarian pathological injuries and necroptosis characteristics. The alterations of above indicators were most apparent in the joint group. Above all, this research illustrates that Mo and/or Cd exposure can initiate necroptosis through Th1/Th2 imbalance-modulated ER stress in duck ovaries, and Mo and Cd combined exposure aggravates ovarian injuries. This research explores the molecular mechanism of necroptosis caused by Mo and/or Cd, which reveals that ER stress attenuation may be a therapeutic target to alleviate necroptosis. [Display omitted] [ABSTRACT FROM AUTHOR]

To address issues of global energy sustainability, it is essential to develop highly efficient bifunctional transition metal-based electrocatalysts to accelerate the kinetics of both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). Herein, the heterogeneous molybdenum and vanadium codoped cobalt carbonate nanosheets loaded on nickel foam (VMoCoCOx@NF) are fabricated by facile hydrothermal deposition. Firstly, the mole ratio of V/Mo/Co in the composite is optimized by response surface methodology (RSM). When the optimized composite serves as a bifunctional catalyst, the water-splitting current density achieves 10 mA cm−2 and 100 mA cm−2 at cell voltages of 1.54 V and 1.61 V in a 1.0 M KOH electrolyte with robust stability. Furthermore, characterization is carried out using field emission scanning electron microscopy-energy dispersive spectroscopy (FESEM-EDS), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). Density functional theory (DFT) calculations reveal that the fabricated VMoCoCOx@NF catalyst synergistically decreases the Gibbs free energy of hydrogen and oxygen-containing intermediates, thus accelerating OER/HER catalytic kinetics. Benefiting from the concerted advantages of porous NF substrates and clustered VMoCoCOx nanosheets, the fabricated catalyst exhibits superior electrocatalytic performance. This work presents a novel approach to developing transition metal catalysts for overall water splitting. [ABSTRACT FROM AUTHOR]

B-atom doping is considered as an effective modification strategy to improve the efficiency of catalysts for Nitrogen Reduction Reaction (NRR). In this paper, molybdenum-based metal materials are used as substrates and B-atom doping is used to enhance the ability of catalysts to capture nitrogen molecules, thus improving the efficiency and selectivity of electrocatalytic ammonia synthesis. B-doped MoS2/MoO2 heterostructure catalysts (BM-0, BM-1 and BM-5) were successfully prepared by adding different mass ratios of boric acid (0: 1, 1: 1 and 5: 1) as B sources. BM-5, as one of the materials, is a spherical nanoflower encapsulated in nanoparticles with a morphology abundant active sites and high conductivity. The NRR testing of the three materials determined that the ammonia yield of BM-5 was up to 42.23 μg·h−1·mgcat−1 at −0.6 V relative to the reversible hydrogen electrode (vs. RHE) and the Faraday efficiency was up to 2.78% at −0.5 V (vs. RHE). [ABSTRACT FROM AUTHOR]

Molybdenum carbides (MoxC) with multiple crystal structures are a group of promising catalysts for low-temperature CO2 reduction to CO. However, the relationship between the C and Mo exposure and the activity is elusive, since control of the C and Mo exposure under the same crystal structures is a difficult task. Herein, the C and Mo exposure at the surface of α-MoC1−x was successfully modulated by control of the S-doped amount in the precursors. It is found that the C exposure was gradually increased with the S doping amount decreasing, and that sole Mo or C exposure will go against CO2 and H2 activation, since bent adsorbed CO2 and H2 dissociation require the synergy of surface C and Mo. In other words, MoC1−x with moderate exposure ratios of C to Mo is most favorable. As a result, the MoC/SiO2-390 catalyst, whose precursor was obtained by annealing molybdenum sulfide at 390 ℃ in air, has the optimal activity, exhibiting a 1001 μmol gcat−1 h−1 of the CO yield with ~89% selectivity at 150 ℃ under ambient pressure. Additionally, CO2 reduction to CO over α-MoC1−x proceeds mainly through the formate (HCOO*) pathway under current operating condition. The present work supplied further insight into the influence of α-MoC1−x surface structures on CO2 reduction. The moderate exposure ratios of C to Mo at the surface of α-MoC1−x is the most favorable for CO2 reduction to CO, since bent adsorbed CO2 and H2 dissociation require the synergy of surface C and Mo. [ABSTRACT FROM AUTHOR]

[Display omitted] Single-atom catalysts (SACs) have attracted extensive attention in the field of catalysis due to their excellent catalytic ability and enhanced atomic utilization, but the multi-mode single-atom nanozymes for biosensors remain a challenging issue. In this work, iron-doped carbon dots (Fe CDs) were loaded onto the edges and pores of Mo SACs with nanoflower morphology; accordingly, a composite material Fe CDs/Mo SACs was prepared successfully, which improves the catalytic performance and develops a fluorescence mode without changing the original morphology. The steady-state kinetic data indicates that the material prepared have better affinity for substrates and faster reaction rates under optimized conditions. The specific kinetic parameters K m and V max were calculated as 0.39 mM and 7.502×10−7 M·s−1 respectively. The excellent peroxidase-like activity of Fe CDs/Mo SACs allows H 2 O 2 to decompose into •OH, which in turn oxidizes colorless o -phenylenediamine (OPD) to yellow 2,3-diaminophenazine (DAP). At the same time, the fluorescence signal of Fe CDs/Mo SACs quenches obviously by DAP at 460 nm through internal filtration effect (IFE), while the characteristic fluorescence response of DAP gradually increases at 590 nm. Based on this sensing mechanism, a sensitive and accurate dual-mode (colorimetric and ratiometric fluorescent) sensor was constructed to detect H 2 O 2 and uric acid, and the rate of recovery and linearity were acceptable for the detection of UA in human serum and urine samples. This method provides a new strategy for rapid and sensitive detection of UA, and also broadens the development of SACs in the field of biosensors. [ABSTRACT FROM AUTHOR]

The synthesized Ru-MoNi/MoO 2 possesses superior bifunctional activities for HER and HzOR, requiring only −13 mV and −34.5 mV in 1 M KOH and 1 M KOH + 0.5 M N 2 H 4 , respectively, for achieving 10 mA cm−2. With Ru-MoNi/MoO 2 in a dual-electrode cell, only 0.57 V is needed to achieve 50 mA cm−2 with good stability, facilitating hydrazine-assisted OWS. [Display omitted] Improving the efficiency of overall water splitting (OWS) is crucial due to the slow four-electron transfer process in the oxygen evolution reaction (OER). The coupling of the thermodynamically favorable hydrazine oxidation reaction (HzOR) with the hydrogen evolution reaction (HER) significantly boosts hydrogen production. A Ru-decorated MoNi/MoO 2 micropillar (Ru-MoNi/MoO 2) has been synthesized using a hydrothermal followed by reduction annealing. Benefiting from Ru moderating the active interface of Mo-based alloys/oxides and the unique one-dimensional micropillar morphology. The synthesized Ru-MoNi/MoO 2 exhibits outstanding bifunctional activity for HER and HzOR, achieving 10 mA cm−2 at merely −13 mV and −34 mV in 1 M KOH and 1 M KOH + 0.5 M N 2 H 4 , respectively. Notably, with Ru-MoNi/MoO 2 in a dual-electrode setup, only 0.57 V is needed to achieve 50 mA cm−2, demonstrating good stability and facilitating hydrazine-assisted water splitting (OHzS). This work offers insights into the modulation of alloy/metal oxide active interfaces, contributing to the development of efficient bifunctional catalysts for HER and HzOR. [ABSTRACT FROM AUTHOR]

New two‐dimensional (2D) transition‐metal borides have attracted considerable interest in research on electrode materials for Li‐ion batteries (LIBs) owing to their promising properties. In this study, 2D molybdenum boride (Mo2B2) with and without transition metal (TM, TM=Mn, Fe, Co, Ni, Ru, and Pt) atom doping was investigated. Our results indicated that all TM‐doped Mo2B2 samples exhibited excellent electronic conductivity, similar to the intrinsic 2D Mo2B2 metal behavior, which is highly beneficial for application in LIBs. Moreover, we found that the diffusion energy barriers of Li along paths 1 and 2 for all TM‐doped Mo2B2 samples are smaller than 0.30 and 0.24 eV of the pristine Mo2B2. In particular, for 2D Co‐doped Mo2B2, the diffusion energy barriers of Li along paths 1 and 2 are reduced to 0.14 and 0.11 eV, respectively, making them the lowest Li diffusion barriers in both paths 1 and 2. This indicates that TM doping can improve the electrochemical performance of 2D Mo2B2 and that Co‐doped Mo2B2 is a promising electrode material for LIBs. Our work not only identifies electrode materials with promising electrochemical performance but also provides guidance for the design of high‐performance electrode materials for LIBs. [ABSTRACT FROM AUTHOR]

The aim of this study is to investigate the antibacterial capabilities of different coating durations of three nanoparticle (NP) coatings: molybdenum (Mo), tantalum (Ta), and zinc oxide (ZnO), and their effects on the surface characteristics of 316L stainless steel (SS). The coated substrates underwent characterization utilizing field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectrometry (EDX), and X-ray diffractometer (XRD) techniques. The antibacterial efficacy of NPs was evaluated using the agar diffusion method. The FE-SEM and EDX images confirmed the presence of nano-sized particles of Mo, Ta, and ZnO on the surface of the substrates with perfectly symmetrical spheres and a uniform distribution of the NPs. All groups demonstrated antibacterial activity, and the ability to inhibit the growth of Streptococcus mutans and Lactobacillus acidophilus bacteria. The ZnO group had the most potent antibacterial effect, followed by the Mo group, while the Ta group had the least effect. A direct-current (DC) plasma sputtering system was used to produce nano-coatings of high purity that were homogeneous, crack-free and showed no sign of delamination. Bacterial strains exposed to Mo, Ta, and ZnO coated surfaces exhibited a significant loss of viability in a time-dependent manner. The optimum sputtering time to ensure the best antibacterial properties and preserve the resources was 1 hour (h) for Mo, 3 h for Ta and 6 h for ZnO. [ABSTRACT FROM AUTHOR]

The increased attention given to batteries has given rise to apprehensions regarding their availability; they have thus been categorized as essential commodities. Cobalt (Co), copper (Cu), lithium (Li), nickel (Ni), and molybdenum (Mo) are frequently selected as the primary metallic elements in lithium-ion batteries. The principal aim of this study was to develop a computational algorithm that integrates geostatistical methods and machine learning techniques to assess the resources of critical battery elements within a copper porphyry deposit. By employing a hierarchical/stepwise cosimulation methodology, the algorithm detailed in this research paper successfully represents both soft and hard boundaries in the simulation results. The methodology is evaluated using several global and local statistical studies. The findings indicate that the proposed algorithm outperforms the conventional approach in estimating these five elements, specifically when utilizing a stepwise estimation strategy known as cascade modeling. The proposed algorithm is also validated against true values by using a jackknife method, and it is shown that the method is precise and unbiased in the prediction of critical battery elements. [ABSTRACT FROM AUTHOR]

In this work, hollow tubular CoMo unsupported catalysts were prepared using cotton as a hard template with different Co and Mo molar ratios. The techniques, such as thermogravimetric analysis (TGA), X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and low-temperature N2 adsorption–desorption were employed to characterize the physicochemical properties of the CoMo-x catalysts. The HDS activity evaluation results demonstrated that the thiophene conversion over the CoMo-3 catalyst was 95.82% at 1 MPa and 360 °C, which could be ascribed to the highly dispersed MoS2. Although the BET surface area of all catalysts was as low as 5–12 m2 g−1, the hollow tubular structure could enhance the diffusion of thiophene in the catalyst pore channel and elevate the exposure degree of MoS2. This study provides a new idea for using low-cost hard templates to prepare highly active unsupported HDS catalysts. [ABSTRACT FROM AUTHOR]

The current study was designed to explore all possible etiological features including mineral composition of soil and their effects on hematobiochemical profile in buffaloes suffering from post-parturient hemoglobinuria. The total 384 buffaloes were randomly selected from Tehsil Bhalwal, District Sargodha, Pakistan. The post parturient hemoglobinuria was observed during the period of four months, from November 2016 to February 2017. The parameters including point prevalence of PPHU and hemato-biochemical profile were investigated. The data was analyzed using T-test and regression analysis through SPSS software. Out of 384 animals, 40 (10.4%) were confirmed with PPHU. All hemato-biochemical profile showed significant difference between healthy and affected groups instead mean corpuscular hemoglobin concentration (MCHC), serum calcium and glucose, which were not significant. Vital signs including pulse and respiration showed significant difference but heart rate was found non-significant between both groups. The results regarding mineral analysis of the soil showed significant difference in phosphorus and copper and non-significant difference in calcium and molybdenum. Moreover, strong positive correlation was associated with phosphorus and molybdenum level while moderate positive correlation was attributed to the calcium and copper level in the soil. It is concluded that post parturient hemoglobinuria in buffaloes of Tehsil Bhalwal was associated with variation of soil composition, particularly the deficiency of phosphorus which is main cause of hemoglobinuria. It is necessary to fulfill the minerals requirement of soil and animal's feed to overcome the problems of PPHU in affected areas. [ABSTRACT FROM AUTHOR]

B-atom doping is considered as an effective modification strategy to improve the efficiency of catalysts for Nitrogen Reduction Reaction (NRR). In this paper, molybdenum-based metal materials are used as substrates and B-atom doping is used to enhance the ability of catalysts to capture nitrogen molecules, thus improving the efficiency and selectivity of electrocatalytic ammonia synthesis. B-doped MoS2/MoO2 heterostructure catalysts (BM-0, BM-1 and BM-5) were successfully prepared by adding different mass ratios of boric acid (0: 1, 1: 1 and 5: 1) as B sources. BM-5, as one of the materials, is a spherical nanoflower encapsulated in nanoparticles with a morphology abundant active sites and high conductivity. The NRR testing of the three materials determined that the ammonia yield of BM-5 was up to 42.23 μg·h−1·mgcat−1 at −0.6 V relative to the reversible hydrogen electrode (vs. RHE) and the Faraday efficiency was up to 2.78% at −0.5 V (vs. RHE). [ABSTRACT FROM AUTHOR]

Cadmium (Cd) and excess molybdenum (Mo) are multiorgan toxic, but the detrimental impacts of Cd and/or Mo on poultry have not been fully clarified. Thence, a 16‐week sub‐chronic toxic experiment was executed with ducks to assess the toxicity of Cd and/or Mo. Our data substantiated that Cd and Mo coexposure evidently reduced GSH‐Px, GSH, T‐SOD, and CAT activities and elevated H2O2 and MDA concentrations in myocardium. What is more, the study suggested that Cd and Mo united exposure synergistically elevated Fe2+ content in myocardium and activated AMPK/mTOR axis, then induced ferroptosis by obviously upregulating ACSL4, PTGS2, and TFRC expression levels and downregulating SLC7A11, GPX4, FPN1, FTL1, and FTH1 expression levels. Additionally, Cd and Mo coexposure further caused excessive ferritinophagy by observably increasing autophagosomes, the colocalization of endogenous FTH1 and LC3, ATG5, ATG7, LC3II/LC3I, NCOA4, and FTH1 expression levels. In brief, this study for the first time substantiated that Cd and Mo united exposure synergistically induced ferroptosis and excess ferritinophagy by AMPK/mTOR axis, finally augmenting myocardium injure in ducks, which will offer an additional view on united toxicity between two heavy metals on poultry. [ABSTRACT FROM AUTHOR]