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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]

This paper presents the experimental evidence of reversible insulator–metal transition (IMT) in thin-film amorphous molybdenum trioxide (MoO3) induced by electric fields of just a few volts. The presence of oxygen vacancies in MoO3 is considered to play a significant role in the reported reversible IMT. The oxygen vacancies not only impact MoO3 stoichiometry but also the optical bandgap. The subthreshold slope for IMT in 10 nm-thick MoO3-based devices is 48.3 mV/decade, which represents a transition from an insulator to a metallic state, and the electric field threshold for such a transition was found to be equal to 0.034 V/Å. Following the IMT in MoO3, there are six orders of magnitude differences between the resistivity of the insulator state (27.5 M Ω at −9 V) and the metallic state (80 Ω between +5 and +9 V). In addition, we reported stabilization of a nanocrystalline hexagonal MoO3 (h-MoO3) phase in thicker MoO3 (150 nm-thick) in the presence of oxygen vacancies that behave as a wide bandgap (3.1 eV) ferroelectric semiconductor with a coercive field of about 50 kV/cm, a saturation polarization of about 30 μC/cm2, and a remanent polarization of about 10 μC/cm2. This ferroelectricity in nanocrystalline h-MoO3 (150 nm-thick) remains stable even after 8 months of storage of the sample in ambient conditions, with remanent polarization increasing up to 20 μC/cm2. These are unexpected results from MoO3. [ABSTRACT FROM AUTHOR]

The interaction between a solute and vacancy is crucial for the diffusion and precipitation of alloy elements and ultimately affects the creep resistance and safety of refractory molybdenum (Mo) alloys. In this work, the first-principles calculations of the interaction between solutes (5 light impurity atoms and 23 transition metal elements) and vacancies show that Mo is sensitive to all the light impurity elements, which indicates that these solutes are easy to combine with an Mo alloy and have relatively strong interaction. In most cases, the interaction between the 23 transition metal solutes and vacancy is attractive, but the interaction between solutes V, Ti, and the first-nearest vacancy is repulsive, and the interaction between the early elements in the 3d, 4d, and 5d series and the second-nearest vacancy is also repulsive. Then, we discuss the main factors that affect the solute–vacancy interaction, that is, the effects of electron and strain-elimination. Finally, a solute–vacancy interaction database based on the above effects is established, which would contribute to the research on heat- and radiation-resistant Mo alloys. [ABSTRACT FROM AUTHOR]

Low-cost, small-sized, and easy integrated high-performance photodetectors for photonics are still the bottleneck of photonic integrated circuits applications and have attracted increasing attention. The tunable narrow bandgap of two-dimensional (2D) layered molybdenum ditelluride (MoTe2) from ∼0.83 to ∼1.1 eV makes it one of the ideal candidates for near-infrared (NIR) photodetectors. Herein, we demonstrate an excellent waveguide-integrated NIR photodetector by transferring mechanically exfoliated 2D MoTe2 onto a silicon nitride (Si3N4) waveguide. The photoconductive photodetector exhibits excellent responsivity (R), detectivity (D *), and external quantum efficiency at 1550 nm and 50 mV, which are 41.9 A W−1, 16.2 × 1010 Jones, and 3360%, respectively. These optoelectronic performances are 10.2 times higher than those of the free-space device, revealing that the photoresponse of photodetectors can be enhanced due to the presence of waveguide. Moreover, the photodetector also exhibits competitive performances over a broad wavelength range from 800 to 1000 nm with a high R of 15.4 A W−1 and a large D * of 59.6 × 109 Jones. Overall, these results provide an alternative and prospective strategy for high-performance on-chip broadband NIR photodetectors. [ABSTRACT FROM AUTHOR]

We have demonstrated a green aqueous synthesis of rod-shaped MoO3 material, [MoVI3O9{K(H2O)4}(CH3COO)]·H2O (2) intercalating potassium–aqua-complex acetate into its lamellar space, simply by ion-exchange of Co(II)–aqua-complex in compound [MoVI4O12(CH3COO)2{CoII(H2O)6}]·2H2O (1) by {K(H2O)4}+ in an aqueous solution of 1 and KCl. Compound 2 acts as a potential storage system of alkali metal ions. [ABSTRACT FROM AUTHOR]

Contamination of soils by Molybdenum (Mo) has raised increasing concern worldwide. Both fulvic acid (FA) and humic acid (HA) possess numerous positive properties, such as large specific surface areas and microporous structure that facilitates the immobilization of the heavy metal in soils. Despite these characteristics, there have been few studies on the microbiology effects of FA and HA. Therefore, this study aimed to assess the Mo immobilization effects of FA and HA, as well as the associated changes in microbial community in Mo-contaminated soils (with application rates of 0%, 0.5% and 1.0%). The result of the incubation demonstrated a decrease in soil pH (from 8.23 ~ 8.94 to 8.05 ~ 8.77). Importantly, both FA and HA reduced the exchangeable fraction and reducible fraction of Mo in the soil, thereby transforming Mo into a more stable form. Furthermore, the application of FA and HA led to an increase in the relative abundance of Actinobacteriota and Firmicutes, resulting in alterations to the microbial community structure. However, it is worth noting that due to the differing structures and properties of FA and HA, these outcomes were not entirely consistent. In summary, the aging of FA and HA in soil enhanced their capacity to immobilization Mo as a soil amendment. This suggests that they have the potential to serve as effective amendments for the remediation of Mo-contaminated soils. [ABSTRACT FROM AUTHOR]

Methane release from marine sediments strongly influences the local seafloor environment and ecosystems, and may impact Earth's climate system. Recent studies revealed anomalous molybdenum (Mo) enrichment in seep sediments, which was linked to methane release events. Marine seep sediments are a potential sink of Mo for the global ocean, while the mechanisms leading to local Mo enrichment are not fully understood. The sediments from a gas hydrate-bearing area of the South China Sea analyzed herein reveal authigenic Mo (Mo auth) contents ranging from 0 and 31.4 µg/g and δ98Mo auth values ranging from 0.18 ‰ to 3.31 ‰. The range of δ98Mo auth values of seep sediments is therefore similar to values of modern iron-rich sediments with low concentrations of dissolved porewater hydrogen sulfide and sediments deposited under weakly euxinic sediments. Among the obtained South China Sea data, the more positive δ98Mo auth values (>ca. 1.5 ‰) are interpreted to reflect diffusion of seawater Mo into the sediment at moderate seepage rates and Mo isotope fractionation during the formation of thiomolybdates in the sulfidic seep environment. The lower δ98Mo auth values (

This density functional theory (DFT) study explores the efficacy of cooperative catalytic systems in enabling the ionic hydrogenation of N2 with H2, leading to NH3 formation. A set of N-heterocyclic carbene-based pincer tungsten/molybdenum metal complexes of the form [(PCP)M1(H)2] (M1 = W/Mo) were chosen to bind N2 at the respective metal centres. Simultaneously, cationic rhodium/iridium complexes of type [Cp*M2{2-(2-pyridyl)phenyl}(CH3CN)]+ (Cp* = C5(CH3)5 and M2 = Rh/Ir), are employed as cooperative coordination partners for heterolytic H2 splitting. The stepwise transfer of protons and hydrides to the bound N2 and intermediate NxHy units results in the formation of NH3. Interestingly, the calculated results reveal an encouraging low range of energy spans ranging from ∼30 to 42 kcal mol−1 depending on different combinations of ligands and metal complexes. The optimal combination of pincer ligand and metal center allowed for an energy span of unprecedented 29.7 kcal mol−1 demonstrating significant potential for molecular catalysts for the N2/H2 reaction system. While exploring obvious potential off-cycle reactions leading to catalyst deactivation, the computed results indicate that no increase in energy span would need to be expected. [ABSTRACT FROM AUTHOR]

[Display omitted] The extensive examination of hexagonal molybdenum carbide (β-Mo 2 C) as a non-noble cocatalyst in the realm of photocatalytic H 2 evolution is predominantly motivated by its exceptional capacity to adsorb H+ ions akin to Pt and its advantageous conductivity characteristics. However, the H 2 evolution rate of photocatalysts modified with β-Mo 2 C is limited as a result of their comparatively low ability to release H through desorption. Therefore, a facile method was employed to synthesize carbon intercalated dual phase molybdenum carbide (MC@C) quantum dots (ca. 3.13 nm) containing both α-MoC and β-Mo 2 C decorated on g-C 3 N 4 (gCN). The synthesis process involved a simple and efficient combination of sonication-assisted self-assembly and calcination techniques. 3-MC@C/gCN exhibited the highest efficiency in generating H 2 , with a rate of 4078 µmol g−1h−1 under 4 h simulated sunlight irradiation, which is 13 times higher than pristine gCN. Furthermore, from the cycle test, 3-MC@C/gCN showcased exceptional photochemical stability of 65 h, as it maintained a H 2 evolution rate of 40 mmol g−1h−1. The heightened level of activity observed in the 3-MC@C/gCN system can be ascribed to the synergistic effects of MoC-Mo 2 C that arise due to the existence of a carbon layer. The presence of a carbon layer enhanced the transmission of photoinduced electrons, while the MoC-Mo 2 C@C composite served as active sites, thereby facilitating the H 2 production reaction of gCN. The present study introduces a potentially paradigm-shifting concept pertaining to the exploration of novel Mo-based cocatalysts with the aim of augmenting the efficacy of photocatalytic H 2 production. [ABSTRACT FROM AUTHOR]

This density functional theory (DFT) study explores the efficacy of cooperative catalytic systems in enabling the ionic hydrogenation of N2 with H2, leading to NH3 formation. A set of N-heterocyclic carbene-based pincer tungsten/molybdenum metal complexes of the form [(PCP)M1(H)2] (M1 = W/Mo) were chosen to bind N2 at the respective metal centres. Simultaneously, cationic rhodium/iridium complexes of type [Cp*M2{2-(2-pyridyl)phenyl}(CH3CN)]+ (Cp* = C5(CH3)5 and M2 = Rh/Ir), are employed as cooperative coordination partners for heterolytic H2 splitting. The stepwise transfer of protons and hydrides to the bound N2 and intermediate NxHy units results in the formation of NH3. Interestingly, the calculated results reveal an encouraging low range of energy spans ranging from ∼30 to 42 kcal mol−1 depending on different combinations of ligands and metal complexes. The optimal combination of pincer ligand and metal center allowed for an energy span of unprecedented 29.7 kcal mol−1 demonstrating significant potential for molecular catalysts for the N2/H2 reaction system. While exploring obvious potential off-cycle reactions leading to catalyst deactivation, the computed results indicate that no increase in energy span would need to be expected. [ABSTRACT FROM AUTHOR]

The assembly of molybdenum polyoxometalates (POMs) has afforded large discrete nanoclusters with varied degrees of reduction such as the ~20 % reduced molybdenum blues. While many heterometals have been incorporated into these clusters to afford new properties, uranium has yet to be reported. Here we report the first uranium containing molybdenum blue clusters and the unique properties exhibited by this incorporation. The uranyl ion (UO22+) directs formation of Mo72U8, a square POM comprised of two faces connected by eight edge‐sharing molybdenum dimers. Mo72U8, a chiral cluster, crystallizes as a racemic mixture and, in the solid state, has a 'negative' charge localized on one face of the cluster opposite the 'positively' charged face of another cluster. Using U(IV) as both heterometal and molybdenum reductant afforded crystals of Mo97U10, a wheel cluster with a heptamolybdate cap on one face. Mo97U10 dissociates in solution, losing the heptamolybdate, to form Mo90U10. Using more solvent during synthesis afforded crystals of Mo90U10S4 which, instead of heptamolybdate, contains four sulfate ions. Crystals of Mo90U10S4 undergo a dehydration induced phase change where clusters form a sheet through oxide bridges. Half of the bridges are cation‐cation interactions between the uranyl oxygen atom and molybdenum, the first reported of this kind. [ABSTRACT FROM AUTHOR]

Direct methanol fuel cells (DMFC) are a promising new energy source. However, the lack of high-performance and low-cost methanol oxidation electrocatalysts hinders their commercial application. Firstly, we successfully prepared NENU-5-derived molybdenum carbide material (Cu-MoC) via a co-precipitation and high-temperature carbonization method using a material composed of a copper-based metal–organic skeleton and a molybdenum-based carbide as the main body. Secondly, PtCu nano-alloy catalysts (Pt/Cu-MoC) were prepared using a unique, spontaneous single replacement reaction after metal–organic skeleton (MOF) carbonization. Through the synergistic effect between Pt and Cu and the strong interaction between Mo2C and PtCu, the electronic structure of the Pt is modified, the energy of the d-band center is reduced, electron exchange is accelerated, and catalytic activity is enhanced. Compared with a commercial Pt/C catalyst in alkaline environments, the Pt0.10/Cu-MoC catalyst has a better MOR catalytic activity (563.25 mA mgPt−1), which is 1.5 times higher than that of commercial Pt/C (376.67 mA mgPt−1). The Pt0.10/Cu-MoC catalyst has an onset potential for CO oxidation that is 16 mV lower than that of commercial Pt/C, indicating better resistance to CO poisoning. Exploring carbon materials derived from MOFs with excellent junction support and using them as carriers to prepare Pt-based catalysts is a practical and feasible approach. It provides a way to develop new Pt-based catalysts that perform efficient MOR. [ABSTRACT FROM AUTHOR]

This study aimed to synthesize molybdenum complexes coordinated with an aroyl hydrazone-type ligand (H2L), which was generated through the condensation of 2-hydroxy-5-nitrobenzaldehyde with benzhydrazide. The synthesis yielded two types of mononuclear complexes, specifically [MoO2(L)(MeOH)] and [MoO2(L)(H2O)], as well as a bipyridine-bridged dinuclear complex, [(MoO2(L))2(4,4'-bpy)]. Those entities were thoroughly characterized using a suite of analytical techniques, including attenuated total reflectance infrared spectroscopy (IR-ATR), elemental analysis (EA), thermogravimetric analysis (TGA), and single-crystal X-ray diffraction (SCXRD). Additionally, solid-state impedance spectroscopy (SS-IS) was employed to investigate the electrical properties of these complexes. The mononuclear complexes were tested as catalysts in the epoxidation of cyclooctene and the oxidation of linalool. Among these, the water-coordinated mononuclear complex, [MoO2(L)(H2O)], demonstrated superior electrical and catalytic properties. A novel contribution of this research lies in establishing a correlation between the electrical properties, structural features, and the catalytic efficiency of the complexes, marking this work as one of the pioneering studies in this area for molybdenum coordination complexes, to the best of our knowledge. [ABSTRACT FROM AUTHOR]

There are very few known examples of supramolecular compounds comprising molybdenum species hosted inside the portals/cavities of cucurbit[n]urils (CBn). In this work, CB7 and CB8 macrocycles have been studied as hosts for the carbonyl complex [CpMo(CO)3Me] (1) (Cp = η5‐C5H5). Compounds were isolated in the solid state and characterized as genuine 1:1 inclusion complexes (1@CBn) by elemental and thermogravimetric analyses, powder X‐ray diffraction, scanning electron microscopy, 13C{1H} cross‐polarization magic‐angle spinning NMR, FT‐IR, Raman, and diffuse reflectance UV–Vis spectroscopies. The host–guest structures can act as supramolecular precatalysts for olefin epoxidation. Based on the model reaction of cis‐cyclooctene with hydroperoxide oxidants (tert‐butylhydroperoxide or hydrogen peroxide), the structural features of 1@CBn as well as the operating conditions influence the catalytic process. The metal species in 1@CBn undergo oxidative decarbonylation in situ, giving oxidized metal species that are catalytically active for olefin epoxidation. The type of oxidant and solvent influences the catalytic activity and stability. 1@CB8 was more stable than 1@CB7 with regard to catalyst recycling and reuse. Based on the substrate scope investigation, for relatively large olefins, such as the fatty acid methyl ester methyl oleate, the size of the macrocyclic host may be a determining factor for catalytic activity. [ABSTRACT FROM AUTHOR]

The corrosion behavior of electrodeposited nickel-based coatings with W, Mo, and TiOx as potential catalytic material for hydrogen evolution reaction (HER) in highly aggressive media, 0.5 M H2SO4 and 6 M KOH, is presented. A wide range of electrochemical and spectroscopic methods have been used, such as linear sweep voltammetry, open-circuit potential (OCP), electrochemical impedance spectroscopy (EIS), X-ray diffraction (XRD), X-ray fluorescence spectroscopy (XRF), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and energy-dispersive spectroscopy (EDS) to characterize the coatings before and after a residence time of 336 h in the model corrosion environment. The NiW alloy and the NiWTiOx composite coating demonstrate the best corrosion resistance in an acidic environment due to the stable tungstate phase formation (H0.33O3W and H2O4W) on the surface. In alkaline environments, all the systems studied show enviable resistance, but the alloys containing molybdenum stand out. [ABSTRACT FROM AUTHOR]

Molybdenum Trioxide nanoparticle (MoO3-NPs) was introduced to Cellulose acetate (CA) biopolymer with different concentration using casting process by dispersed MoO3-NPs [0.0, 0.25, 0.5 and 1.0 wt%]. Molecular structure of samples has been studied using XRD and UV–Vis. the data shown by X-ray results indicated the amorphous nature of the pure polymer. Some peaks are appeared as a result of the addition of MoO3-NPs which indicate that samples were partially crystallized. The crystallite size of nano-metal oxide was calculated for blended samples by Size–Strain Plot method which was found to increase with increasing the concentration of MoO3. UV–Vis results indicate that there exist two indirect energy band gaps; Onset band gap which observed to decreases from 1.3 eV for pure polymer to 0.78 eV for polymer blended with 1.0 wt% MoO3-NPs and HOMO–LOMO band gap which observed to decrease from 3.23 eV for pure polymer to 2.89 eV for polymer blended with 1.0 wt% MoO3-NPs. This indicate that the addition of nano-metal oxide improve the optical conduction of CA. Urbach energy was observed to increase with increasing MoO3-NPs from 0.27 eV for pure CA to 0.32 eV for 1.0 wt% MoO3-NPs concentration which may be occurred due to the creation localized states at the band gap as a result of the addition of MoO3-Nps. [ABSTRACT FROM AUTHOR]

Oxidative coupling of methane (OCM) is a promising process of direct transformation of CH4 to ethylene instead of a complicated two-step process in terms of first forming syngas through reforming or partial oxidation and then producing ethylene with Fischer–Tropsch synthesis (FTS). Na2WO4 has been one of the most studied catalysts of OCM. Here we investigated how the introduced transition metal elements Co, Mn, or Mo to Na2WO4 could influence the catalytic performance of OCM on the supported Na2WO4. It is found that Co, Mn and Mo can obviously promote catalytic activity of transforming CH4 and selectivity for producing ethylene and ethane in OCM performed on Na2WO4 supported on microporous silicate-1 (S-1). A similar promotion of Co, Mn and Mo to the catalytic activity and selectivity in OCM performed on Na2WO4 was found when the Na2WO4 was supported on Matériaux de l′Institut Lavoisier-53(Al) [MIL-53(Al)]. X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopy studies of these catalysts with added transition metal Co, Mn or Mo show that these metals diffused into the lattice of Na2WO4, further suggesting that the promotional effect likely arises from modification of the active phase of the supported Na2WO4 during OCM. [ABSTRACT FROM AUTHOR]

An inter-laboratory comparison involving three participants (PTB, CAE, TU Graz) was conducted on spectral emissivity measurements using experimental setups covering a temperature range from 1250 K to 4000 K and a spectral range between 0.6 µm and 20 µm. The main objective here was to carry out a European-level assessment of the coherency of spectral emissivity measurements at high temperatures. Three refractory materials (molybdenum, tungsten and isotropic graphite) were selected for this comparison. Samples were machined from the same batch of materials and then sandblasted and thermally annealed (PTB, CAE) to achieve uniform and stable surface properties and reduce potential scattering of results between participants. The spectral emissivity of the three materials was then measured by each of the three participants up to the maximum temperature attainable by the devices used. In the overlapping wavelength range from 600 nm to 1100 nm, all measurement methods were in good agreement with regards to their respective uncertainties. [ABSTRACT FROM AUTHOR]

Challenges have arisen in selecting suitable candidates for interconnects and metal contacts due to the exponential increase in metal resistivity at scaled pitches. Molybdenum (Mo) has emerged as a promising alternative to the traditional metals such as copper or tungsten owing to its low electrical resistivity and electron mean free path. In this study, we investigated the formation of a molybdenum film grown by thermal atomic layer deposition (ALD) using a MoO2Cl2 solid precursor and H2 and NH3 gases as the reducing agents. A molybdenum nitride film served as the seed layer on a SiO2 substrate before molybdenum film deposition. The analysis focused on the film's phase, morphology, chemical bonding states, and resistivity across various thicknesses. X-ray diffraction (XRD) confirmed the presence of polycrystalline BCC planes. Our analyses confirmed the successful growth of the molybdenum metal thin film, which, at a thickness of 10 nm, exhibited a record-low resistivity of approximately 13 μΩ cm. [ABSTRACT FROM AUTHOR]

Using first-principles calculations, we have performed the detailed researches on La behavior in Mo including structure, thermodynamic stability, interaction with vacancy, and mechanical properties of Mo-La alloy. La prefers to stay at substitution site with the solution energy of 2.86 eV. The <111> mixed dumbbell is more stable than both <100> and <110> mixed dumbbells. The La-La interaction displays attraction and repulsion in short- and long-distance range, respectively. Both 1nn and 2nn shells are most likely to form the La-La clusters since there are relatively larger binding energies, which are 0.43 and 0.33 eV, respectively. The La-vacancy interaction is much local and limited within the 2nn shell range. At 1nn and 2nn shells, the binding energies of La-vacancy are 1.33 and 0.26 eV, respectively. Also, the mechanical properties of Mo1-xLax (0 < x < 0.1) binary alloys have been analyzed in detail. The mechanical quantities of single crystal are the elastic constants, Young's modulus and shear modulus, while the mechanical quantities of poly-crystal include bulk modulus B, Young's modulus E, shear modulus G, Poisson's ratio v, Anisotropy factor A and B/G. These results can provide a much valuable reference for Mo-alloy application in nuclear fusion field. [ABSTRACT FROM AUTHOR]

Calcium molybdate is a waste produced by the molybdenum industry, and it is very feasible to replace part of molybdenum oxide with calcium molybdate for smelting by the carbon reduction method. In this paper, through the one-factor test, we obtained the optimal conditions for the removal of impurity elements P, S, C, and Si as follows: melting temperature of 1525°C, holding time of 25 min, and alkalinity of 1.3. The contents of impurity elements P, S, C, and Si in ferromolybdenum alloy were detected as 0.046%, 0.041%, 1.43%, and 1.09%, respectively, under these conditions, and the removal rates of P and S could be up to 79.36% and 65.21%. Under this condition, three phases of Mo2C, Fe3Mo, and Fe3Mo3C exist in ferromolybdenum alloy, in which the distribution of the P, S, and C elements decrease in order. The slag system is mainly composed of a CaO-SiO2 binary system, and, under the above research conditions, P, S, C, and Si are made to enter into the slag system in different forms to achieve the decontamination effect of ferromolybdenum. The research results are of great significance for the expanded utilization of calcium molybdate and the improvement of ferromolybdenum quality. [ABSTRACT FROM AUTHOR]

There is intensive research by the community to improve materials for renewable energy applications such as hydrogen production, photovoltaics and light-emitting diodes. Titanium dioxide (TiO2) is an important material where we can improve its fundamental properties, through doping aiming to form more efficient devices. Here, we use electronic structure calculations based on density function theory (DFT) to explore the effect of dopants, such as boron (B), germanium (Ge), molybdenum (Mo), and tungsten (W), on the structural and electronic properties of TiO2. We investigated both the interstitial and the oxygen substitutional positions, and for the minimized energy optimized structures, we used hybrid DFT calculations to predict the electronic properties through the density of states, which proved costly but not as much to outweigh their advantage in accuracy. For most cases considered, the dopants reduce the theoretical bandgap of TiO2, while gap states form. The variation of the bandgap ranges from a very small increase of 0.04 eV to a significant decrease of 0.8 eV, while the exact "position" of new gap states differs for each type of dopant and for its "spot" in the crystalline structure. It is proposed that these states and the change of the bandgap contribute to the significant changes in the optical and electronic properties of TiO2 and can be beneficial to the photovoltaic and photocatalytic applications of TiO2 and its implementation for hydrogen production. [ABSTRACT FROM AUTHOR]

There is intensive research by the community to improve materials for renewable energy applications such as hydrogen production, photovoltaics and light-emitting diodes. Titanium dioxide (TiO2) is an important material where we can improve its fundamental properties, through doping aiming to form more efficient devices. Here, we use electronic structure calculations based on density function theory (DFT) to explore the effect of dopants, such as boron (B), germanium (Ge), molybdenum (Mo), and tungsten (W), on the structural and electronic properties of TiO2. We investigated both the interstitial and the oxygen substitutional positions, and for the minimized energy optimized structures, we used hybrid DFT calculations to predict the electronic properties through the density of states, which proved costly but not as much to outweigh their advantage in accuracy. For most cases considered, the dopants reduce the theoretical bandgap of TiO2, while gap states form. The variation of the bandgap ranges from a very small increase of 0.04 eV to a significant decrease of 0.8 eV, while the exact "position" of new gap states differs for each type of dopant and for its "spot" in the crystalline structure. It is proposed that these states and the change of the bandgap contribute to the significant changes in the optical and electronic properties of TiO2 and can be beneficial to the photovoltaic and photocatalytic applications of TiO2 and its implementation for hydrogen production. [ABSTRACT FROM AUTHOR]

The Cambro‐Ordovician interval marks a significant transition from extinction to bio‐diversification in deep time. However, the relationship of bio‐transition to volcanism, commonly characterized by mercury (Hg) systematics in sedimentary records, has not been examined. We present the first Cambro‐Ordovician Hg systematics from the Scandinavian Alum Shale. Our results show pronounced Furongian Hg enrichments, coupled with positive Δ199Hg, Δ200Hg, and Δ201Hg values and negative Δ204Hg values that we ascribe to atmospheric Hg transport over long‐distances, while Early Ordovician Hg anomalies, characterized by near‐zero mass‐independent isotope values, indicative of submarine source. Our findings are supported by two new proxies: molybdenum‐Hg and vanadium‐δ202Hg co‐variations, demonstrating Hg systematics were strongly influenced by changes in source and depositional conditions. Constrained by a synchronous atmospheric‐tectonic‐oceanic model, we hypothesize Furongian subaerial volcanism contributed to global extinction and oceanic anoxia, whereas Early Ordovician submarine volcanism concurrent with ocean water upwelling promoted the nascent bio‐diversification. Plain Language Summary: The late Cambrian‐Early Ordovician interval is a crucial time that bridges the Cambrian extinction and Great Ordovician Bio‐diversification events. The former is associated with 50% decrease in genera, whereas the latter displays threefold increase in species. Volcanism is associated with extinction and bio‐development events throughout Earth's history. Prior works investigated potential biogeochemical controls that could have supported the Cambro‐Ordovician bio‐transition, but none explored the role of volcanism. We, for the first time, examine Hg abundance ratios and isotopes in the Scandinavian Alum Shale core across this boundary. Two novel molybdenum‐Hg and vanadium‐δ202Hg models are proposed to improve our interpretation of the geochemical records about the effects of volcanism on environmental changes during this enigmatic transition. Constrained by a synchronous atmospheric‐oceanic‐tectonic model, our results demonstrate that late Cambrian subaerial volcanism contributed to oceanic anoxia and extinction, whereas Early Ordovician submarine volcanism and water upwelling led to the subsequent bio‐radiation. Key Points: Mercury is associated with organic matter in carbonaceous Alum shale deposited under sulfidic conditionsLate Cambrian‐Early Ordovician mercury was released by volcanism that also triggered major environmental changeMercury mass independent fractionation isotopes suggest late Cambrian subaerial volcanism but Early Ordovician submarine source [ABSTRACT FROM AUTHOR]

Silanones (O＝SiR2), a heavier congener of ketones (R2C＝O), are highly reactive species that are readily converted to oligomeric siloxane (O–SiR2)n. Coordination of silanones to the transition-metal fragments to afford silanone-coordinated complexes is a reliable silanone stabilization method. Recently, our group reported the synthesis, structures, and reactivity of dimesityl-substituted silanone complexes Cp*(OC)2M{O＝SiMes2(L)}(SiMe3) (M = W, Mo, L: Lewis base, Cp*: η5-C5Me5, Mes: 2,4,6-Me3C6H2). Herein, to investigate the effect of substituents on the silicon atom during the formation of a silanone complex, we demonstrated the use of Mes and smaller Me groups. As a result, the formation of Mes(Me)-substituted silanone molybdenum complex Cp*(OC)2Mo{O＝SiMes(Me)(py)}(SiMe3) (5b, py: pyridine) was suggested, the silanone tungsten complex Cp*(OC)2W{O＝SiMes(Me)(DMAP)}(SiMe3) (4a, DMAP: 4-(dimethylamino)pyridine) was obtained, and a dimethyl-substituted disiloxanyloxy(dioxo) complex Cp*(O)2W(OSiMe2OSiMe3) (9) was formed. The reaction of 4a with PMe3 proceeded via the elimination of DMAP and migration of the SiMe3 group to the oxygen atom of the silanone ligand to afford Cp*(OC)2W(SiMes(Me)OSiMe3)(PMe3) (11a). The Mo complex Cp*(OC)2Mo(SiMes(Me)OSiMe3)(PMe3) (11b) was produced by the reaction of Cp*(OC)2Mo{＝SiMes(Me)}(SiMe3) (7b) with pyridine-N-oxide in the presence of PMe3. [ABSTRACT FROM AUTHOR]

The main challenge for sodium storage is to find suitable host materials to accommodate larger-sized Na+ and conquer sluggish chemical kinetics. Herein, by adjusting the heat treatment environment, a novel few-layered molybdenum oxide selenide encapsulated in a three-dimensional (3D) N-doped carbon skeleton (MoO3–MoSe2–NC) is rationally constructed to improve the rate performances and cycle life for sodium-ion batteries (SIBs). A small quantity of MoO3 is generated on the edge of MoSe2via in situ local phase transformation by treatment temperature in the air, which effectively regulates the electronic structure, enhances the intrinsic conductivity, and provides more active sites of MoSe2 species. The layered NC acts as a nanoreactor to encapsulate MoO3–MoSe2, which not only effectively improves the conductivity of MoO3–MoSe2, shortens the diffusion pathway of Na+, but also alleviates the volumetric expansion effect of MoO3–MoSe2, playing a key role in providing structural stability for the electrode. Utilizing the phase and interface engineering, the MoO3–MoSe2–NC anode delivers a high specific capacity of 551 mA h g−1 at 0.1 A g−1 upon 150 cycles for SIBs, and a reversible capacity of 368 mA h g−1 is maintained even under 1 A g−1 after 600 cycles. By pairing with commercial Na3V2(PO4)3, this MoO3–MoSe2–NC also exhibits excellent performances in full cells. This study develops a universal interface manipulation strategy for the synthesis of anode materials to boost fast sodium storage kinetics. [ABSTRACT FROM AUTHOR]

We study the influence of mechanical deformations on the Zeeman and Rashba effects in transition metal dichalcogenide nanotubes and their Janus variants from first principles. In particular, we perform symmetry-adapted density functional theory simulations with spin–orbit coupling to determine the variation in the electronic band structure splittings with axial and torsional deformations. We find significant effects in molybdenum and tungsten nanotubes, for which the Zeeman splitting decreases with increase in strain, going to zero for large enough tensile/shear strains, while the Rashba splitting coefficient increases linearly with shear strain, while being zero for all tensile strains, a consequence of the inversion symmetry remaining unbroken. In addition, the Zeeman splitting is relatively unaffected by nanotube diameter, whereas the Rashba coefficient decreases with increase in diameter. Overall, mechanical deformations represent a powerful tool for spintronics in nanotubes. [ABSTRACT FROM AUTHOR]

The conversion of an azacalixpyridine‐supported Mo(0) tricarbonyl into a Mo(VI) trioxo complex with dioxygen (O2) is investigated in homogeneous solution and in a molecular film adsorbed on Au(111) using a variety of spectroscopic and analytical methods. These studies in particular show that the dome‐shaped carbonyl complex adsorbed on the metal surface has the ability to bind and activate gaseous oxygen, overcoming the so‐called surface trans‐effect. Furthermore, the rate of the conversion dramatically increases by irradiation with light. This observation is explained with the help of complementary DFT calculations and attributed to two different pathways, a thermal and a photochemical one. Based on the experimental and theoretical findings, a molecular mechanism for the conversion of the carbonyl to the oxo complex is derived. [ABSTRACT FROM AUTHOR]

Adsorption of metal‐organic complexes on metallic surfaces to produce well‐defined single site catalysts is a novel approach combining the advantages of homogeneous and heterogeneous catalysis. To avoid the "surface trans‐effect" a dome‐shaped molybdenum(0) tricarbonyl complex supported by an tolylazacalix[3](2,6)pyridine ligand is synthesized. This vacuum‐evaporable complex both activates CO and reacts with molecular oxygen (O2) to form a Mo(VI) trioxo complex which in turn is capable of catalytically mediating oxygen transfer. The molybdenum tricarbonyl‐ and trioxo complexes are investigated in the solid state, in homogeneous solution and on noble metal surfaces (Cu, Au) employing a range of spectroscopic and analytical methods. [ABSTRACT FROM AUTHOR]

With the rapid development of the global aerospace industry, higher requirements have been placed on the comprehensive performance of structural materials for aviation. Among them, titanium alloys are widely used in the design of rocket engine casings, rocket nozzle conduits and artificial satellite casings because of their high strength, good corrosion resistance and high heat resistance. However, the surface of titanium alloy has poor wear resistance, which makes it difficult to adapt to its practical use in the aviation environment, especially in high-temperature and wide-temperature conditions. Researchers have found that the preparation of molybdenum disulfide solid lubrication coatings on the surface of titanium alloys can significantly improve this problem. This review summarizes the research progress of MoS2-based material coatings, which contains the design of MoS2-based coating components, and the preparation methods of MoS2-based coatings. Therefore, the unitary, binary, diversified and multilayer designs of molybdenum disulfide-based materials in coatings are discussed. In addition, the current preparation methods of MoS2-based materials are reviewed, focusing on the improvement of wear resistance of titanium surfaces by MoS2–Ti coatings as well as plasma electrolytic oxidation (PEO) technology. Finally, the advantages and disadvantages of the current research on molybdenum disulfide-based materials are summarized, aiming to provide some references for the practical application of titanium alloys in the aerospace field. [ABSTRACT FROM AUTHOR]

Among the major challenges facing the hydrogen economy is the issue of hydrogen storage. In terms of "future energy needs", electrochemical hydrogen storage in solid-state materials is an accepted perspective that could mitigate the discontinuation of primary energy sources. In this study, we demonstrate the electrochemical properties of a complex metal oxide that contains the molybdate group, Dy 2 Mo 3 O 12. Wet-chemical synthesis of nanostructured Dy 2 Mo 3 O 12 is primarily carried out using ultrasound-assisted wet-chemical methods in the presence of a variety of surfactants. The structural and morphological observations of the samples confirm a pure and highly crystalline structure obtained in the presence of CTAB surfactant at 900 °C and 30 min of sonication, with an average crystalline size of 29 nm. Based on the FTIR spectrum of this sample, it can be concluded that there are significant absorptions indicating the formation of oxygen-metal bonds. The specific surface area and pore volume of the selected sample are 4.543 m2/g and 0.0284 cm3/g, respectively, demonstrating its porous structure. Electrochemical studies of this sample at various temperatures have revealed an enhanced discharge capacity (5100 mAh/g at 65 °C) with a capacity retention rate of 97%. Based on these findings, mixed metal oxides containing at least one active charge transfer species (Red./Ox.) are suitable for use in solid-state hydrogen storage devices. [Display omitted] • Pioneering technique for creating Dy 2 Mo 3 O 12 -Dy 2 O 3 nanocomposites. • Showcasing a unique material that holds potential for enhanced electrochemical hydrogen storage. • Significant strides in achieving enhanced electrochemical hydrogen storage. • Foundational step in the exploration of materials designed for harvesting hydrogen storage systems. [ABSTRACT FROM AUTHOR]

Adsorption of metal‐organic complexes on metallic surfaces to produce well‐defined single site catalysts is a novel approach combining the advantages of homogeneous and heterogeneous catalysis. To avoid the "surface trans‐effect" a dome‐shaped molybdenum(0) tricarbonyl complex supported by an tolylazacalix[3](2,6)pyridine ligand is synthesized. This vacuum‐evaporable complex both activates CO and reacts with molecular oxygen (O2) to form a Mo(VI) trioxo complex which in turn is capable of catalytically mediating oxygen transfer. The molybdenum tricarbonyl‐ and trioxo complexes are investigated in the solid state, in homogeneous solution and on noble metal surfaces (Cu, Au) employing a range of spectroscopic and analytical methods. [ABSTRACT FROM AUTHOR]

In this work, we propose combining a low work function anode metal and junction barrier Schottky structure to simultaneously achieve low turn-on voltage (Von) and high breakdown voltage (BV), which alleviates the dilemma that high BV requires high Schottky barrier height (SBH) and high Von. Molybdenum (Mo) is used to serve as the anode metal to reduce the SBH and facilitate fast turn-on to achieve a low Von. To resolve the low SBH related low BV issue, a p-NiO/n-Ga2O3-based heterojunction structure is used to enhance β-Ga2O3 sidewall depletion during the reverse state to improve the BV. With such a design, a low Von = 0.64 V(@1A/cm2) and a high BV = 2.34 kV as well as a specific on-resistance (Ron,sp) of 5.3 mΩ cm2 are demonstrated on a 10 μm-drift layer with a doping concentration of 1.5 × 1016 cm−3. β-Ga2O3 JBS diodes with low Von = 0.64 V and a power figure of merit of 1.03 GW/cm2 show great potential for future high-voltage and high-efficiency power electronics. [ABSTRACT FROM AUTHOR]

Molybdenum phosphide (MoP) is recognized as one of the most promising catalysts for the hydrogen evolution reaction (HER); however the low electronic conductivity and complicated synthesis process still restrict its commercialization as a replacement for the benchmark Pt/C catalyst. Herein, a novel type of MoP nanoparticles encapsulated with biomolecule-derived N, P-codoped carbon nanosheets has been successfully fabricated by a simple one-step pyrolysis of ammonium molybdate tetrahydrate, 1-hydroxyethylidene diphosphonic acid (HEDP) and a unique biomolecule guanine as the precursor of two-dimensional carbon materials. Benefiting from the well-designed architecture with both good electronic conductivity and easily accessible catalytic sites provided by the 2D carbon structure, the optimized catalyst exhibits synergistically enhanced HER activity under both alkaline and acidic conditions, especially with a low overpotential of 104 mV to deliver 10 mA cm−2 in 1 M KOH. Moreover, the coverage of N, P-codoped graphene-like carbon layers can prevent the corrosion of MoP nanoparticles in harsh reaction media, ensuring superior durability. This work has opened up a new direction for further development of simple, low-cost but efficient novel electrocatalysts. [ABSTRACT FROM AUTHOR]

The contradiction between the optical absorption depth and carrier diffusion length has emerged as a significant problem constraining the performance of BiVO4 photoanodes. Fabricating a one-dimensional (1D) structure is considered a promising strategy to address the above problem. However, the synthesis of BiVO4 photoanodes consisting of 1D monoclinic scheelite remains a great challenge. In this study, a 1D molybdenum (Mo) doped BiVO4 photoanode (Mo:1D-BVO) consisting of monoclinic scheelite BiVO4 submicron rods (SMRs) through a phase transition from a 1D tetragonal zircon BiVO4 precursor was successfully prepared. It was found that Mo doping could lower the phase transition barrier from tetragonal zircon to monoclinic scheelite BiVO4. Due to the Mo:1D-BVO photoanode's remarkable light absorption efficiency, efficient carrier separation, and superior conductivity, it yields a photocurrent density of 2.08 mA cm−2 at 1.23 V versus reversible hydrogen electrode (RHE), which is 3.5 times higher than that of pristine BiVO4. Upon the introduction of the co-catalyst, the photocurrent density of Co–Pi/Mo:1D-BVO attains 3.18 mA cm−2 at 1.23 V vs. RHE, accompanied by a carrier separation efficiency of 91%. Our study introduces a novel approach for the production of remarkably efficient 1D monoclinic scheelite BiVO4 photoanodes. [ABSTRACT FROM AUTHOR]

2D materials have attracted attention in the field of neuromorphic computing applications, demonstrating the potential for their use in low‐power synaptic devices at the atomic scale. However, synthetic 2D materials contain randomly distributed intrinsic defects and exhibit a stochasitc forming process, which results in variability of switching voltages, times, and stat resistances, as well as poor synaptic plasticity. Here, this work reports the wafer‐scale synthesis of highly polycrystalline semiconducting 2H‐phase molybdenum ditelluride (2H‐MoTe2) and its use for fabricating crossbar arrays of memristors. The 2H‐MoTe2 films contain small grains (≈30 nm) separated by vertically aligned grain boundaries (GBs). These aligned GBs provide confined diffusion paths for metal ions filtration (from the electrodes), resulting in reliable resistive switching (RS) due to conductive filament confinement. As a result, the polycrystalline 2H‐MoTe2 memristors shows improvement in the RS uniformity and stable multilevel resistance states, small cycle‐to‐cycle variation (<8.3%), high yield (>83.7%), and long retention times (>104 s). Finally, 2H‐MoTe2 memristors show linear analog synaptic plasticity under more than 2500 repeatable pulses and a simulation‐based learning accuracy of 96.05% for image classification, which is the first analog synapse behavior reported for 2D MoTe2 based memristors. [ABSTRACT FROM AUTHOR]

Among the various molybdenum oxide (MoO x) films, molybdenum dioxide (MoO 2) has gained significant attention as a promising electrode material for metal-insulator capacitors owing to its exceptional crystalline properties and high work function (WF). However, achieving precise atomic layer deposition of MoO 2 films requires careful selection of molybdenum (Mo) precursors and oxidants, given the metastable nature of MoO 2. Furthermore, film properties can vary depending on the oxidation potential of the reactant. In this study, we successfully deposited MoO 2 films by utilizing Mo (NMe 2) 4 as the Mo source, which reacted with an O source (oxygen gas or ozone). MoO x (O 2) and MoO x (O 3) films exhibited significantly different growth rates, measuring approximately 0.23 and 1.36 Å/cycle, respectively. Additionally, MoO x (O 2) and MoO x (O 3) exhibited high WFs of 4.81 and 5.12 eV, respectively. Finally, hydrogen (H 2) annealing induced a monoclinic phase in MoO 2. By contrast, MoO x (O 3) exhibited an orthorhombic structure after both H 2 and O 2 annealing, suggesting that the crystal structure was independent of the annealing atmosphere. These findings highlight the possibility that when a MoO 2 layer that is well crystallized through H 2 treatment is applied as an electrode for dynamic random-access memory(DRAM) capacitors, high-k crystal-inducing effects can be functionalized, and the leakage current can be reduced through the Schottky emission barrier. [ABSTRACT FROM AUTHOR]

Nowadays, the application scenarios of rare earth doped luminescent materials tend to be refined and complicated. The optical properties of rare earth doped materials are difficult to precisely control via the traditional design and synthesis methods, namely, changing doping concentration or preparative conditions. The aim of this study is to tune the optical transition properties of Er3+ in tungsto-molybdate NaY(Mo x W 1- x O 4) 2 (x = 0, 0.01, 0.1, 0.3, 0.5, 0.7, 0.9, 0.99 and 1.0) phosphors by changing the host matrix. The Er3+ doped continuous tungsto-molybdate solid solution NaY(Mo x W 1- x O 4) 2 phosphors were prepared via a solid state reaction technique at optimized calcination temperatures. The refractive indexes of the obtained solid solution samples were confirmed according to different models and compared. Subsequently, the optical transition intensity parameters, radiative transition rates and intrinsic radiative lifetimes of Er3+ in these solid solution phosphors were calculated in the framework of Judd-Ofelt theory. It was confirmed that the optical transition properties of Er3+ can be greatly tuned by the solid solution composition, and the tuning effects for different transitions are different. To validate the reliability of the Judd-Ofelt calculations, the temperature-dependent emission spectra of two green emissions of Er3+ for different solid solution samples were studied. It was found that the radiative transition rate ratios between two green emissions derived from theoretical calculations and experimental measurements are in reasonable agreement, thus proving that the optical transition calculations are reliable and the optical transition properties of Er3+ in the tungsto-molybdates can be tuned in a large range. This work reminds us of a new route for developing novel luminescence materials based on practical demands. [ABSTRACT FROM AUTHOR]

Tanacetum falconeri is a significant flowering plant that possesses cytotoxic, insecticidal, antibacterial, and phytotoxic properties. Its chemodiversity and bioactivities, however, have not been thoroughly investigated. In this work, several extracts from various parts of T. falconeri were assessed for their chemical profile, antioxidant activity, and potential for enzyme inhibition. The total phenolic contents of T. falconeri varied from 40.28 ± 0.47 mg GAE/g to 11.92 ± 0.22 mg GAE/g in various extracts, while flavonoid contents were found highest in TFFM (36.79 ± 0.36 mg QE/g extract) and lowest (11.08 ± 0.22 mg QE/g extract) in TFSC (chloroform extract of stem) in similar pattern as found in total phenolic contents. Highest DPPH inhibition was observed for TFFC (49.58 ± 0.11 mg TE/g extract) and TFSM (46.33 ± 0.10 mg TE/g extract), whereas, TFSM was also potentially active against (98.95 ± 0.57 mg TE/g) ABTS radical. In addition, TFSM was also most active in metal reducing assays: CUPRAC (151.76 ± 1.59 mg TE/g extract) and FRAP (101.30 ± 0.32 mg TE/g extract). In phosphomolybdenum assay, the highest activity was found for TFFE (1.71 ± 0.03 mg TE/g extract), TFSM (1.64 ± 0.035 mg TE/g extract), TFSH (1.60 ± 0.033 mg TE/g extract) and TFFH (1.58 ± 0.08 mg TE/g extract), while highest metal chelating activity was recorded for TFSH (25.93 ± 0.79 mg EDTAE/g extract), TFSE (22.90 ± 1.12 mg EDTAE/g extract) and TFSC (19.31 ± 0.50 mg EDTAE/g extract). In biological screening, all extracts had stronger inhibitory capacity against AChE while in case of BChE the chloroform extract of flower (TFFC) and stem (TFSC) showed the highest activities with inhibitory values of 2.57 ± 0.24 and 2.10 ± 0.18 respectively. Similarly, TFFC and TFSC had stronger inhibitory capacity (1.09 ± 0.015 and 1.08 ± 0.002 mmol ACAE/g extract) against α-Amylase and (0.50 ± 0.02 and 0.55 ± 0.02 mmol ACAE/g extract) α-Glucosidase. UHPLC-MS study of methanolic extract revealed the presence of 133 components including sterols, triterpenes, flavonoids, alkaloids, and coumarins. The total phenolic contents were substantially linked with all antioxidant assays in multivariate analysis. These findings were validated by docking investigations, which revealed that the selected compounds exhibited high binding free energy with the enzymes tested. Finally, it was found that T. falconeri is a viable industrial crop with potential use in the production of functional goods and nutraceuticals. [ABSTRACT FROM AUTHOR]

The more sluggish kinetics of hydrogen evolution catalysts in base as compare to that in acid to some degree restricts hydrogen production performance of hydroxide exchange membrane electrolyzers, especially when using earth‐abundant catalysts. Here a ternary nickel–copper–molybdenum hydrogen evolution catalyst is reported that exhibits ≈5 times higher turnover frequency than without copper doping. The X‐ray absorption near‐edge structure and valence band spectrum demonstrate that the light doping of copper into nickel–molybdenum alloy modulates the electronic structure and downshifts the d‐band center, resulting in accelerated hydrogen desorption, as consolidated by H2 temperature programmed desorption and theoretical calculation. An electrolyzer employing this cathode catalyst and a nickel–iron anode, gives a current density of 1.7 A cm−2 at 2.0 V with a pure‐water feed through the anode, which outperforms the 2025 target proposed by the United States Department of Energy, and even is operated continuously for over 1000 h with a decay rate of as low as 0.5 mV h−1. Post‐mortem analysis discloses that hydroxide exchange ionomer migration is one of the key factors affecting long‐term durability. This work demonstrates the feasibility of a low‐cost, water‐fed hydroxide exchange membrane electrolyzer achieving industrial‐level performance and lifetime. [ABSTRACT FROM AUTHOR]

Nitrification converts ammonium (NH4+) to nitrate (NO3-) using metalloenzymes, the activity of which depends on iron (Fe), molybdenum (Mo), and copper (Cu) availability. Iron-organic carbon coprecipitates (or Fe-OC flocs) are key byproducts of wastewater treatment industry and natural components of soil that may affect nitrification by changing the bioavailability of these metals. Here, we used flocs of different chemistry (aromatic and aliphatic) and known Fe and C composition to investigate their effects on nitrification in soils along a soil C gradient. Both aromatic and aliphatic flocs reduced net nitrification, but the magnitude of their effect was more pronounced in soils with low C content as opposed to those with high C content. Within each soil, both flocs reduced net nitrification similarly. In the presence of flocs, the bioavailability of Mo (assessed by changes in the concentration of water-soluble Mo) was dramatically decreased in low C soils, possibly because Mo was incorporated into or adsorbed to flocs or their decomposition products. In contrast, Mo bioavailability in high C soils was decreased to a lesser extent by flocs, likely because organic matter limited floc adsorption capacity and released Mo through mineralization. The depletion of bioavailable Mo by flocs in agricultural soils has the potential to impede soil nitrification and extend the residence time of NH4+ and its availability to plants and microbes. [ABSTRACT FROM AUTHOR]

A series of highly reduced Mo red clusters {Mo28} (1), {Mo30} (2), and {Mo40} (3) are synthesized from the rational assembly of planar {MoV4} building blocks and employed for proton conduction. 3 exhibits the best conductivity of 7.56 × 10-3 S cm-1 under optimal conditions due to the most efficient hydrogen-bonding network. [ABSTRACT FROM AUTHOR]