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MoS2 and WS2 are spotlighted as fungible materials of graphene that can be used in electronic devices owing to being semiconductors with indirect and direct band gaps. Precursors (Mo(NtBu)2(StBu)2 (1), W(NtBu)2(StBu)2 (2)) suitable for the deposition of these materials were synthesized and characterized. The molecular structures of 1 and 2 exhibit a tetrahedral geometry according to single‐crystal x‐ray crystallography. Thermogravimetric analyses of 1 and 2 showed two‐step weight loss. The residues from each step of 1 were MoS3 and MoS2, and these results were consistent with the subsequent deposition results of 1. We successfully established a PEALD‐MoS2 process using 1 and H2S plasma as the precursor and reactant, respectively, at relatively low temperatures of 150–300 °C without any post‐sulfurization process. A temperature‐dependent selective deposition of MoSx phases was observed with the growth of amorphous MoS3 films (150–200 °C), and crystalline MoS2 films (250–350 °C). [ABSTRACT FROM AUTHOR]

Two molybdenum complexes, MoHL1 and MoHL2, are prepared from the corresponding tetradentate salen type (ONNO) ligands, HL1 and HL2, obtained from 3, 5‐dichloro salicylaldehyde, and substituted o‐phenylenediamines. The complexes are characterized by 1H NMR, FTIR, HRMS, and UV‐visible spectral techniques. The DFT studies provide insight into their structural parameters. The band gap energy and molecular orbital energies influence the charge transfer interactions within the molecule. Further, the complexes are assessed for their antioxidant efficacy, α–amylase inhibitory potential, binding propensity with deoxyribonucleic acid, and cytotoxicity studies against breast cancer cell line, MCF7. The DPPH assay demonstrates high radical scavenging ability, as evidenced by the IC50 value of 133.85±1.18 μg/mL, higher than ascorbic acid. From the results of α–amylase inhibitory assay, MoHL1 shows good inhibitory action with the IC50 value of 32.72±2.49 μg/mL higher than that of the standard acarbose. The absorption titration method, to track the binding interactions of the metal complexes with DNA, shows a marked hyperchromic effect indicating preferential binding of the complexes to the grooves of DNA helical structure. MoHL2 exerts higher cytotoxicity against cancer cell lines than MoHL1. Thus, the complexes have the potential to be developed as antidiabetic and anticancer agents. [ABSTRACT FROM AUTHOR]

Metal borides have received a lot of attention recently as a potentially useful material for a wide range of applications. In particular, molybdenum‐based borides and MBenes are of great significance, due to their remarkable properties like good electronic conductivity, considerable stability, high surface area, and environmental harmlessness. Therefore, in this article, the progress made in molybdenum‐based borides and MBenes in recent years is reviewed. The first step in understanding these materials is to begin with an overview of their structural and electronic properties. Then synthetic technologies for the production of molybdenum borides, such as high‐temperature/pressure methods, physical vapor deposition (PVD), chemical vapor deposition (CVD), element reaction route, molten salt‐assisted, and selective etching methods are surveyed. Then, the critical performance of these materials in numerous applications like energy storage, catalysis, biosensors, biomedical devices, surface‐enhanced Raman spectroscopy (SERS), and tribology and lubrication are summarized. The review concludes with an analysis of the current progress of these materials and provides perspectives for future research. Overall, this review will offer an insightful reference for the understanding molybdenum‐based borides and their development in the future. [ABSTRACT FROM AUTHOR]

Cobalt molybdenum nitrides can be obtained from the oxidic precursor by reaction with gaseous ammonia. Despite the large number of works regarding the catalytical properties of these compounds, there are relatively few reports about the initial transformation from oxide to nitride. In this work, the influence of the precursor structure on the active phase formation and catalytic properties of cobalt molybdenum nitrides is examined. Oxidic precursors were obtained by precipitation at different pH values controlled by the addition of aqueous ammonia. The parameters of the precipitation process affected the composition and properties of the materials. The ammonolysis of NH4Co2OH(MoO4)2 ⋅ H2O was investigated in situ with the use of X‐ray powder diffraction and thermogravimetry. The ammonia synthesis activity of the obtained catalysts was compared to the reference iron catalyst. The formation of the Co3Mo intermetallic phase was suggested as the factor governing high activity. [ABSTRACT FROM AUTHOR]

By means of density functional theory, the energy‐loss near‐edge structure (ELNES) of carbon K‐edge of Mo2TiAlC2 and corresponding MoTiC2 Mxene at orientational‐independent condition is dealt with. Compared to the MAX (M is transition metal, A is an elment from group 13–16, X is C or N) phase, the energy separations increase between the main spectral features at the C K edge of Mo2TiC2 MXene owing to the structural change and decreased bond length. The dispersions of the C K edge in both systems are similar to p‐symmetry densities of states. It is indicated that the source of the first fine structure at the C 1s edge in both phases mainly comes from the electron transfer to px + py‐like character. The other fine structures result from the transition to hybridization of pz and px + py states with the prominent contribution of px + py‐like character. Moreover, the comparison of C K‐edge ELNES spectra in three Mo‐based compounds reveals that, ongoing from Mo2TiAlC2 to Mo2TiC2 and then to Mo2C, the energy position of the fine structures is shifted to higher energies (blueshifted), due to the quantum confinement effects and the change of the chemical environment around the excited carbon. [ABSTRACT FROM AUTHOR]

The structural and electronic properties of pure graphene, graphene with a vacancy, graphene with two vacancies and molybdenum‐doped graphene were investigated. In addition, the adsorption of Mo atoms on graphene (G), reduced graphene (rG) and reduced graphene oxide (rGO) was examined. The possible energies of different active adsorption sites of nanostructured Mo‐decorated G, rG and rGO have been calculated using density functional theory (DFT). Mo atoms are predicted to create bonds with six C atoms in G, three C atoms in rG, and both C and O atoms in rGO sheets after geometry optimizations. The study focused on changing the electronic structure of G, including opening the zero band gap and controlling the band structure, which was done by creating defects and adding impurities. The present study revealed a significant correlation between the adsorption of the Mo atom and the characteristics exhibited by frontier orbitals. The results indicated that the adsorption characteristics of Mo atoms in pure G, rG and rGO are different, despite chemisorption being the common mechanism. Specifically, Mo‐decorated rG exhibited higher adsorption energy, while Mo‐decorated G demonstrated a lower adsorption energy. According to these findings, it is reasonable to anticipate that Mo‐decorated rG could be applied as a novel adsorbent for the removal of pollutants. [ABSTRACT FROM AUTHOR]

Molybdenum cofactor sulfurase (MoCoS) is a key gene involved in the uric acid metabolic pathway that activates xanthine dehydrogenase to synthesise uric acid. Uric acid is harmful to mammals but plays crucial roles in insects, one of which is the immune responses. However, the function of Bombyx mori MoCoS in response to BmNPV remains unclear. In this study, BmMoCoS was found to be relatively highly expressed in embryonic development, gonads and the Malpighian tubules. In addition, the expression levels of BmMoCoS were significantly upregulated in three silkworm strains with different levels of resistance after virus infection, suggesting a close link between them. Furthermore, RNAi and overexpression studies showed that BmMoCoS was involved in resistance to BmNPV infection, and its antivirus effects were found to be related to the regulation of uric acid metabolism, which was uncovered by inosine‐ and febuxostat‐coupled RNAi and overexpression. Finally, the BmMoCoS‐mediated uric acid pathway was preliminarily confirmed to be a potential target to protect silkworms from BmNPV infection. Overall, this study provides new evidence for elucidating the molecular mechanism of silkworms in response to BmNPV infection and new strategies for the prevention of viral infections in sericulture. [ABSTRACT FROM AUTHOR]

Molybdenum‐based efficient and broadly applicable catalytic system is presented for the dehydrogenative coupling of γ‐/β‐amino alcohols with ketones. In particular, complex Mo(CO)6 in combination with Xantphos and t‐BuOK as base provides direct synthesis of structurally diverse quinoline, pyridine, and pyrrole compounds (total 55 examples) with isolated yields up to 92%. Low catalyst loading, cost‐effective, and high catalytic activities with high tolerance to stand with diverse functional groups are additional features of these molybdenum catalysts exhibiting high efficacy to replace the precious metal catalysts such as ruthenium and iridium. Furthermore, the DFT and experimental studies were explored for the reaction mechanism which can assist in broadening the scope of the molybdenum catalysts for different transformation reactions. [ABSTRACT FROM AUTHOR]

A family of molybdenum complexes with a general formula of [MoO2L]2 have been synthesized and fully characterized, where L is a tridentate ONO Schiff base ligand featuring a Cl substituent in different positions on the aromatic ring of salicylidene‐2‐aminophenolato backbone. The solvent molecule stabilized the monomeric structure of [MoO2LD] (D = DMF or DMSO) allowing single‐crystal X‐ray diffraction of the three new complexes. The dimeric complexes are utilized to catalyze the reaction of aldehydes/ketones with dimedone, leading to 1,8‐dioxo‐octahydro‐xanthene derivatives in N,N‐dimethylformamide. We found that their catalytic activity is enhanced by the electron‐withdrawing group of the Cl substituent on the ONO ligand. In addition, the position of the Cl substituent can also positively influence the catalysis performance: (ortho (L1) > para (L3) > meta (L2) ≈ meta (L4)). The high efficiency of the catalysts promises high yields and selectivity with a low catalyst loading and allows a wide substrate scope of aldehydes/ketones for the reaction. In addition, the method employs recrystallization for purifying products and can be easily scaled up to gram levels, indicating a strong potential for industrial utilization. [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]

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]

Reactivity of (triphosphine)MoIV‐nitrido complex generated by N2 splitting, toward boranes is reported. The simple adduct Mo≡N→BH3 is observed with BH3.SMe2 while 1,2 addition is evidenced with 9‐BBN leading to H−Mo=NBR2. A second addition of BH3.SMe2 is facile and forms an unprecedented complex featuring two bridging H between two B and the Mo centers. Addition of PMe3 or BH3.SMe2 promotes reductive elimination and N−H bond formation. The full sequence of functionalization at Mo≡N obtained after N2 splitting is therefore evidenced in this work. [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]

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]

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]

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]

Efficient hydroboration of aldehydes and ketones is demonstrated using a single‐site MoO2 catalyst supported on activated carbon. Under mild conditions with low catalytic loadings, the reaction exhibits chemoselectivity towards carbonyl reduction over halides, alkene, alkyne, nitrile, and ester groups, affording high yields of desired products. Furthermore, competition studies between aldehyde and ketone reduction using HBpin and HBcat indicate that HBpin preferably functionalizes aldehydes, while HBcat can functionalize either substrate under specific conditions. Mechanistic studies suggest that the reaction proceeds via the initial formation of a molybdenum‐hydride species upon B−H activation and subsequent molybdenum‐alkoxide species upon carbonyl activation by the Mo center. The experimental activation energy of 14.3 kcal/mol alignssatisfactorily with the DFT computed ΔH≠ of 18.7 kcal/mol, further supporting the proposed mechanism. Combined experimental/computational analyses reveal that excess HBpin can possibly deactivate the catalyst. The presence of excess benzaldehyde efficiently mitigates deactivation by HBpin, providing significantly higher catalyst recyclability. Overall, this non‐toxic, air‐ and moisture‐stable, active, and selective catalyst demonstrates significant potential for green processes. [ABSTRACT FROM AUTHOR]

Brazing of hot work steel with nickel‐based filler metals is a widely used process for manufacturing casting tools. However, the formation of brittle phases in the joint impairs its mechanical properties. Reducing these intermetallic phases is an important aspect. Thermodynamic equilibrium calculations are used to estimate the change in melting range and apearance of intermetallic phases by adding different amounts of molybdenum to Ni 620. The filler metals are then produced and their solidus and liquidus temperatures are investigated using differential scanning calorimetry. Specimens of X37CrMoV5‐1 are then brazed in a vacuum furnace and their microstructure is analysed by scanning electron microscopy/electron dispersive spectroscopy and their hardness properties by nanoindentation. The addition of molybdenum to the Ni 620 filler metal leads to the formation of chromium molybdenum boride rich phases and reduced hardness values in brazed joints. Manipulation of Ni 620 by molybdenum helps to improve relevant properties in brazing hot work steel. [ABSTRACT FROM AUTHOR]

Until now, Surface Plasmon Resonance (SPR) biosensors still rely on gold as their transducer element, and this makes cheap analytical devices difficult to achieve. On the other hand, lossy mode resonance (LMR) sensors offer transducers with more alternative materials due to their flexibility, which can be excited in p‐ and s‐polarized light. In this research it is carried out a numerical investigation using the transfer matrix method on LMR sensor composed of molybdenum disulfide (MoS2) as lossy layer and Cytop as matching layer. The reflectance curves for different thicknesses of MoS2 and Cytop are numerically investigated. The results obtained show that the chip consisting of 250 nm Cytop and 4 layers of MoS2 has a penetration depth 3 times higher than conventional SPR chips. If sensors with two types of polarization are compared, sensors with s‐polarized light have shown higher sensitivity reaching 72.13°/RIU with a wider dynamic range starting from a refractive index of 1.331 to 1.401. In this refractive index range, this sensor has displayed good signal stability where the reduction in resonance dip depth is only ≈6%. These computational results make the proposed structure very promising to be applied in the quantification of biological materials. [ABSTRACT FROM AUTHOR]

We report the facile and high‐yielding multi‐gram synthesis of pentavalent heavy group VI mono‐imido complexes with the general formula M(NR)Cl3Ln (M=Mo, W, R=Aryl or Alkyl, L=DME n=1 or Py n=2) following a comproportionative imido group transfer procedure starting from the corresponding bis‐imido complexes and MCl4. The procedure works well for both aryl and alkyl imido ligands, in the case of molybdenum but only for alkyl imidos in the case of tungsten. Overall, five mono‐imido complexes have been structurally characterized and purity is established by elemental analysis and EPR spectroscopy. [ABSTRACT FROM AUTHOR]

In this work, RF magnetron co‐sputtering was used to fabricate molybdenum oxytelluride thin films with different atomic ratios. Scanning electron micrographs and atomic force micrographs revealed that pure Mo thin films were segregated. Thin films with 40% Te content portrayed needle‐like structures and thus had the largest Rq value of 2.48 nm. Contact angle measurements further supported the findings as the thin films with 40% Te content were the most hydrophobic. X‐ray photoelectron spectroscopy results revealed that the major oxidation states of Mo from Te‐poor to Te‐rich TFs were changed from high (+6) to low (+4 and/or +2). X‐ray diffraction data showed that peaks pertaining to molybdenum oxide species appeared, notably at 33.048° and 33.115°. Ultraviolet photoelectron spectroscopy and Kelvin probe measurements evinced that the work function increases with increasing Te content. Four‐point probe measurements revealed that molybdenum oxytelluride thin films tend to have higher electrical conductivity than pure Mo and Te thin films. [ABSTRACT FROM AUTHOR]

Nanostructures have been used for various biomedical applications due to their optical, antibacterial, magnetic, antioxidant, and biocompatible properties. Cancer is a prevalent disease that severely threatens human life and health. Thus, innovative and effective therapeutic approaches are urgently required for cancer. Photothermal therapy (PTT) is a promising approach to killing cancer cells. In this investigation, we developed a low‐cost, simple, green technique to fabricate molybdenum trioxide nanostructures (MNs) using Opuntia ficus‐indica mucilage as a template. Moreover, the MNs were functionalized with folic acid (FA) for cancer PTT. The X‐ray diffractometer results revealed that the prepared MNs have an orthorhombic crystal phase. The transmission electron microscope image of MNs shows a flake shape with 20–150 nm diameter. The cytotoxicity of MNs and FA‐conjugated MNs was studied in vitro. These cell viability assay results suggested that fabricated MoO3 nanostructures reduced 25% of cell viability in MCF‐7 cells, even at high doses. However, even with high‐dose treatment, FA/MNs do not cause significant cell death. Acridine orange/ethidium bromide (AO/EB) staining revealed DNA and chromatin condensation in MCF‐7 cells exposed to MNs. Overall, the in vitro study results suggested that FA/MNs have excellent biocompatibility, which applies to biomedical applications. MNs dispersion temperature gradually increases from 26 to 58°C under 808 nm laser irradiation. We found significant mortality rates after NIR irradiation in MNs‐ or FA/MNs‐treated MCF‐7 cells. These findings suggest that FA/MNs can be used as an effective photothermal agent to treat breast cancer. [ABSTRACT FROM AUTHOR]

The electrophilic functionalization of the triple‐decker sandwich complex [{Cp*Mo}2(μ,η6:6‐P6)] (A) and its mono‐oxidized counterpart [{Cp*Mo}2(μ,η6:6‐P6)][SbF6] (B) with reactive main‐group electrophiles as well as radical scavengers is shown to be a reliable method for the selective functionalization of the hexaphosphabenzene ligand. Depending on the electrophile used, the regioselectivity of the functionalization can be adjusted. Using group 16 electrophiles, the trisubstituted compounds [{Cp*Mo}2{(μ,η3 : 3‐P3)(μ,η1 : 1 : 1 : 1‐1,3‐(SePh)2‐2‐Br‐P3)}][TEF] (1), [{Cp*Mo}2(μ,η3 : 3‐P3)(μ,η1 : 1 : 1 : 1‐1,2,3‐(EPh)3‐P3)][SbF6] (E=S (2), Se (3)) as well as the side product [{Cp*Mo}2(μ,η4:4‐P4)(μ,η1 : 1‐P(SPh)2)][SbF6] (4) are obtained. By switching to phosphenium ions as group 15 electrophiles, the ring‐inserted products [{Cp*Mo}2(μ,η3 : 3 : 2 : 2‐P7R2)][TEF] (R=Cy (5), iPr (6)) are isolated, showing an unprecedented P7R2 structural motif. Furthermore, the reaction with MeOTf yields the dimeric [{Cp*Mo}4(1,4‐Me2‐μ4,η1 : 1 : 1 : 1 : 1 : 1‐P6)(μ,η3 : 3‐P3)2][TEF]2 (7) as the first example of a complex featuring two interconnected cyclo‐P6 middle deck ligands. Finally, by combination of the methylation step with Ph2Se2, the mixed group 14/16 complex [{Cp*Mo}2{(μ,η3 : 3‐P3)(μ,η1 : 1 : 1 : 11,2‐(SePh)2‐3‐Me‐P3)}][OTf] (8) is obtained. [ABSTRACT FROM AUTHOR]

Renal stone formation inside the kidney is one of the major causes of renal failure all over the world. To create preventative measures, it is crucial to examine renal stone's composition and identify the minerals that are responsible for their pathogenesis. Various concerns regarding the pathophysiology of renal stones remain unresolved and have been put forward. However, till date, the complete information is still unclear. In recent years, spectroscopic studies have gained much attention in identifying the chemical compositions that lead to the formation and growth of renal stones. This work employed wavelength‐dispersive X‐ray fluorescence (WDXRF) and Fourier transform infrared (FTIR) spectroscopy to study renal stones. WDXRF results of renal stone samples give the presence of numerous heavy and trace elements. Different elemental constituents like zinc (Zn), copper (Cu), iron (Fe), molybdenum (Mo), nickel (Ni), strontium (Sr), chromium (Cr), zirconium (Zr), palladium (Pd), bromine (Br), ruthenium (Ru), lead (Pb), and arsenic (As) were detected and quantified in the renal stones. Vibrational spectroscopic studies were carried out to know the chemical compositions of renal stones such as calcium oxalate monohydrate (COM), uric acid (UA), and carbonate apatite (CA). Quantitative results of WDXRF have been compared with the results from atomic absorption spectroscopy (AAS) of these stone samples. The available clinical details of the patients were correlated with the spectroscopic results obtained using WDXRF and FTIR spectroscopy. [ABSTRACT FROM AUTHOR]

Large birefringence is a crucial but hard‐to‐achieve optical parameter that is a necessity for birefringent crystals in practical applications involving modulation of the polarization of light in modern opto‐electronic areas. Herein, an oxyanion polymerization strategy that involves the combination of two different types of second‐order Jahn–Teller distorted units is employed to realize giant anisotropy in a covalent molybdenum tellurite. Mo(H2O)Te2O7 (MTO) exhibits a record birefringence value for an inorganic UV‐transparent oxide crystalline material of 0.528 @ 546 nm, which is also significantly larger than those of all commercial birefringent crystals. MTO has a UV absorption edge of 366 nm and displays a strong powder second‐harmonic generation response of 5.4 times that of KH2PO4. The dominant roles of the condensed polytellurite oxyanions [Te8O20]8− in combination with the [MoO6]6− polyhedra in achieving the giant birefringence in MTO are clarified by structural analysis and first‐principles calculations. The results suggest that polymerization of polarizability‐anisotropic oxyanions may unlock the promise of birefringent crystals with exceptional birefringence. [ABSTRACT FROM AUTHOR]

With the persistent downscaling of integrated circuits, molybdenum (Mo) is currently considered a potential replacement for copper (Cu) as a material for metal interconnects. However, fabricating metal nanostructures with critical dimensions of the order of 10 nm and below is challenging. This is because the very high density of grain boundaries (GBs) results in highly non‐uniform surface profiles during direct wet etching. Moreover, wet etching of Mo with conventional aqueous solutions is problematic, as products of Mo oxidation have different solubility in water, which leads to increased surface roughness. Here, a process is shown for achieving a stable and uniform soluble surface layer of Mo oxide by wet oxidation with H2O2 dissolved in IPA at −20 °C. The oxide layer is then selectively dissolved, and by repeating the oxidation and dissolution multiple times, a uniform etch profile is demonstrated with a fine control over the metal recess. Ultimately, this presents a method of precise and uniform wet etching for Mo and other metals needed to fabricate complex nanostructures that are critical in developing next‐generation electronic devices. [ABSTRACT FROM AUTHOR]

This study explores a rational synthesis of a molybdenum‐promoted Ce−Si mixed oxide catalyst (MoO3/CeO2−SiO2) to regulate synergies between MoO3 and SiO2 dopant on CeO2, achieving high selectivity in solvent‐free catalytic oxidative coupling of amines to imines using molecular O2 as the oxidant. Comparative efficiency tests were conducted with bare CeO2, CeO2−SiO2, and MoO3/CeO2 catalysts. Characterization techniques, including XRD, Raman spectroscopy, N2‐adsorption‐desorption analysis, FTIR, NH3−TPD, TEM, and XPS, were employed to assess textural properties, acidic features, promoter and dopant dispersion in CeO2 lattice, and oxygen defects. Mo/Ce−Si catalyst exhibited superior acidic sites and a higher concentration of Ce3+ ions (Iu/ITotal), indicating increased oxygen vacancies. This catalyst demonstrated exceptional performance in the oxidative coupling of benzylamine, providing higher conversion and selectivity to the corresponding imine. Remarkably, the Mo/Ce−Si catalyst maintained consistent performance over five recycling runs. The catalyst also proved effective for the selective oxidative coupling of various amine substrates with diverse steric and electronic properties. Experimental results confirmed a plausible reaction mechanism within the concise catalyst design. [ABSTRACT FROM AUTHOR]

Ruthenium(II) complexes with chelating polypyridine ligands are among the most frequently investigated compounds in photophysics and photochemistry, owing to their favorable luminescence and photoredox properties. Equally good photoluminescence performance and attractive photocatalytic behavior is now achievable with isoelectronic molybdenum(0) complexes. The zero‐valent oxidation state of molybdenum is stabilized by carbonyl or isocyanide ligands, and metal‐to‐ligand charge transfer (MLCT) excited states analogous to those in ruthenium(II) complexes can be established. Microsecond MLCT excited‐state lifetimes and photoluminescence quantum yields up to 0.2 have been achieved in solution at room temperature, and the emission wavelength has become tunable over a large range. The molybdenum(0) complexes are stronger photoreductants than ruthenium(II) polypyridines and can therefore perform more challenging chemical reductions. The triplet nature of their luminescent MLCT states allows sensitization of photon upconversion via triplet‐triplet annihilation, to convert low‐energy input radiation into higher‐energy output fluorescence. This review summarizes the current state of the art concerning luminescent molybdenum(0) complexes and highlights their application potential. Molybdenum is roughly 140 times more abundant and far cheaper than ruthenium, hence this research is relevant in the greater context of finding more sustainable alternatives to using precious and rare transition metals in photophysics and photochemistry. [ABSTRACT FROM AUTHOR]

Ruthenium(II) complexes with chelating polypyridine ligands are among the most frequently investigated compounds in photophysics and photochemistry, owing to their favorable luminescence and photoredox properties. Equally good photoluminescence performance and attractive photocatalytic behavior is now achievable with isoelectronic molybdenum(0) complexes. The zero‐valent oxidation state of molybdenum is stabilized by carbonyl or isocyanide ligands, and metal‐to‐ligand charge transfer (MLCT) excited states analogous to those in ruthenium(II) complexes can be established. Microsecond MLCT excited‐state lifetimes and photoluminescence quantum yields up to 0.2 have been achieved in solution at room temperature, and the emission wavelength has become tunable over a large range. The molybdenum(0) complexes are stronger photoreductants than ruthenium(II) polypyridines and can therefore perform more challenging chemical reductions. The triplet nature of their luminescent MLCT states allows sensitization of photon upconversion via triplet‐triplet annihilation, to convert low‐energy input radiation into higher‐energy output fluorescence. This review summarizes the current state of the art concerning luminescent molybdenum(0) complexes and highlights their application potential. Molybdenum is roughly 140 times more abundant and far cheaper than ruthenium, hence this research is relevant in the greater context of finding more sustainable alternatives to using precious and rare transition metals in photophysics and photochemistry. [ABSTRACT FROM AUTHOR]

Wadsley‐Roth niobium oxide phases have attracted extensive research interest recently as promising battery anodes. We have synthesized the niobium‐molybdenum oxide shear phase (Nb, Mo)13O33 with superior electrochemical Li‐ion storage performance, including an ultralong cycling lifespan of at least 15000 cycles. During electrochemical cycling, a reversible single‐phase solid‐solution reaction with lithiated intermediate solid solutions is demonstrated using in situ X‐ray diffraction, with the valence and short‐range structural changes of the electrode probed by in situ Nb and Mo K‐edge X‐ray absorption spectroscopy. This work reveals that the superior stability of niobium molybdenum oxides is underpinned by changes in octahedral distortion during electrochemical reactions, and we report an in‐depth understanding of how this stabilizes the oxide structure during cycling with implications for future long‐life battery material design. [ABSTRACT FROM AUTHOR]

Wadsley‐Roth niobium oxide phases have attracted extensive research interest recently as promising battery anodes. We have synthesized the niobium‐molybdenum oxide shear phase (Nb, Mo)13O33 with superior electrochemical Li‐ion storage performance, including an ultralong cycling lifespan of at least 15000 cycles. During electrochemical cycling, a reversible single‐phase solid‐solution reaction with lithiated intermediate solid solutions is demonstrated using in situ X‐ray diffraction, with the valence and short‐range structural changes of the electrode probed by in situ Nb and Mo K‐edge X‐ray absorption spectroscopy. This work reveals that the superior stability of niobium molybdenum oxides is underpinned by changes in octahedral distortion during electrochemical reactions, and we report an in‐depth understanding of how this stabilizes the oxide structure during cycling with implications for future long‐life battery material design. [ABSTRACT FROM AUTHOR]

By combining binding energy and bond‐charge (BBC) model and density functional theory (DFT) calculations, the electrostatic shielding effects and binding energy shifts of bilayer MoS2, MoSe2, and MoTe2 are studied. In this study, the bilayer MoS2, MoSe2, and MoTe2 had bandgaps of 1.38, 1.28, and 1.01 eV, respectively. It is found that electrostatic shielding by electron exchange is the main cause of density fluctuation and determine the bonding state. We found that the edge polarization exactly vanishes after the bulk phase transition, just as we saw the corner‐localized modes disappear in a system with full open boundaries of bilayer MoTe2. Finally, this study establishes a method for calculating the lattice density with Green's function with energy level shift and provides new methods and ideas for the further study of the electrostatic shielding, bond states and topological phases of nanomaterials. [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]

Solution‐processed chalcopyrite thin film solar cells have made great progress but still lag behind the vacuum‐based ones due to inferior absorber quality and non‐ideal interfaces. Here, plasma treatment of the molybdenum (Mo) substrate is reported to modify the back interface and improve the efficiency of solution‐processed copper indium sulfoselenide (CuIn(S,Se)2, CISSe) solar cells. The results show plasma treatment oxides the surface Mo/MoO2 to high oxidation oxides MoO3‐x (0 ≤ x < 1). The higher surface polarity greatly improves the wettability of the substrate to the precursor solution and results in formation of more compact and uniform precursor film, which grows to void‐free larger grains absorber film with better adhesion to the substrate. In addition, the much higher chemical stability of MoO3‐x than Mo significantly reduces the thickness of high resistive MoSe2 layer. The improved absorber quality and back interface property decreases charge carrier recombination in the absorber and back contact interface, resulting in 14.53% efficiency solution‐processed CISSe solar cell, which is improved by 13% compared to device without plasma treatment. [ABSTRACT FROM AUTHOR]

Two‐dimensional molybdenum oxide (2D MoO3), as a non‐noble metal semiconductor material, is of particular significance for exploring the localized surface plasmon resonance (LSPR). However, the high excitation energy and the irreversible LSPR performance significantly restrict its practical application. To resolve these challenges, the hydrogen intercalated 2D amorphous MoO3 is investigated, and it can be observed that tunable plasmon resonances in the visible and near‐infrared regions occur. More importantly, the LSPR effect can be triggered by visible light and monochromatic light. For the first time, it is found out that the hydrogen intercalated 2D amorphous MoO3 presents a light‐modulated reversible LSPR effect, and its color can transfer from dark blue under illumination to transparent in light‐off. Additionally, solar energy can be effectively stored in bulk‐amorphous MoO3 materials. Therefore, these findings may provide a new platform to utilize sun power. [ABSTRACT FROM AUTHOR]

A neutral silylyne complex with a Cr≡Si triple bond was prepared by dehydrogenation of a chromium silylene complex with Cr−H and Si−H bonds, and was isolated as monomeric crystals, unlike dimeric forms of its tungsten and molybdenum congeners. The strong Cr(δ−)−Si(δ+) bond polarity was revealed by the reaction with MeOH and DFT calculations. The chromium silylyne complex reacted with H2 under LED (365 nm) irradiation to reproduce the precursor silylene complex with a (H)Cr=Si(H) moiety, as a result of 1,2‐H−H addition across the Cr≡Si triple bond. Similarly, the chromium silylyne complex reacted with benzene under irradiation to afford an 1,2‐addition product with a (H)Cr=Si(Ph) moiety, via benzene C−H bond activation accompanied by Si−C bond forming. [ABSTRACT FROM AUTHOR]

In this study, molybdenum (Mo), tungsten (W), and mixed metal oxide and ‐nitride catalysts are synthesized via incipient wetness impregnation on silica support (SBA‐15) with a total target metal loading of 4 wt %. The effect of the Mo : W ratio on the non‐oxidative methane conversion, product selectivity, and coke formation is evaluated. The reduced Mo/SBA‐15 and MoW/SBA‐15 catalysts show higher CH4 conversion activity to benzene (selectivity of ~75.5 %) than for ethylene (selectivity of ~9.5 %) with a rather fast coke formation rate of 19–24 mgCoke gCat−1 h−1 without a clear influence of the Mo : W ratio. In contrast, the metal nitrides have a much smaller coke formation rate. The smallest rate of 0.45 mgCoke gCat−1 h−1 is achieved for the WN/SBA‐15 sample, which increases with the molybdenum content to 4.7 and 8.6 mgCoke gCat−1 h−1 for the MoWN(5 : 1) and MoN/SBA‐15 catalysts, respectively. There seems to be a yet unknown but negative correlation between the coke formation rate and the number of silanamine functional groups formed during the catalyst nitridation (Si−OH→≡Si−NH2→≡Si−NH−Si≡). The C2H4 selectivity is significantly increased with the relative amount of tungsten, with the highest C2H4 selectivity of 63 % for mixed‐metal nitride catalyst containing Mo : W ratio of 1 : 5. While the Mo/SBA‐15 the MoN/SBA‐15 achieve a C2H4 selectivity of less than 10 %. [ABSTRACT FROM AUTHOR]

The Sabatier principle suggests that an excessive adsorption of lithium polysulfides (LiPSs) by metal compounds may hinder their conversion in the absence of a conversion module. Therefore, it is imperative to establish a synergetic effect mechanism between "strong adsorption" and "rapid conversion" for LiPSs. To achieve this coexistence, a molybdenum‐doped MnS/MnO@C porous structure is designed as a multifunctional coating on the polypropylene (PP) separator. The incorporation of MnS/MnO@C enhances the adsorption capacity towards LiPSs, while molybdenum facilitates subsequent conversion. Benefiting from the synergistic effect of each component and its large specific surface area, the cell with Mo‐doped MnS/MnO@C coating achieves smooth adsorption‐diffusion‐conversion processes and exhibits an appreciable rate performance with outstanding cycling stability. Even when sulfur loading increases to 9.68 mg cm−2, the modified battery delivers an excellent initial areal capacity of 11.69 mAh cm−2 and maintains 6.97 mAh cm−2 after 50 cycles at 0.1 C. This study presents a promising approach to simultaneously accomplish "strong adsorption" and "rapid conversion" of polysulfides, offering novel perspectives for devising dual‐functional modified separators. [ABSTRACT FROM AUTHOR]

In crystalline silicon (c‐Si) solar cells, the hole transport layer (HTL) made of high oxygen content MoOx (x > 2.85, H‐MoOx) evaporating from molybdenum trioxide is not ideal due to low optical bandgap and interface reaction effects. This limits the power conversion efficiency (PCE) and stability of c‐Si solar cells. To improve this, low oxygen content MoOx (x < 2.85, L‐MoOx) with a wide bandgap of 3.87 eV, deposited using molybdenum dioxide (MoO2), is explored and implemented. The c‐Si/SiOx (FGA, forming gas annealing)/L‐MoOx heterojunction has a low contact resistivity of ≈15.06 mΩ cm2, which is almost one order of magnitude lower than that of c‐Si/SiOx(FGA)/H‐MoOx heterojunction. Using L‐MoOx as the HTL, a c‐Si solar cell based on the SiOx passivation layer shows a fill factor of 84.38% and PCE of 21.75%, representing the highest efficiency for MoOx‐based p‐type c‐Si solar cells. Scanning transmission electron microscopy results show that the L‐MoOx HTL effectively enhances the stability of c‐Si solar cells when exposed to air by reducing Ag and Si element diffusion into MoOx. This successful preparation of efficient and stable MoOx HTL films, while preserving their field‐effect passivation ability, provides valuable insights into the development of high‐performance HTL. [ABSTRACT FROM AUTHOR]

Herein, the effects of Chromium–Molybdenum (Cr–Mo) addition on the microstructural evolution and mechanical properties of medium‐carbon steel after spheroidization annealing are systematically studied through scanning electron microscopy, electron backscatter diffraction, and tensile testing. Cr–Mo addition hinders the proeutectoid ferrite + pearlite transformation, thereby promoting the bainite transformation. Moreover, it refines the pearlite lamellar spacing as well as decreases the average carbide diameter, increases the number of carbides per unit area, and hinders ferrite recrystallization. Compared with those in the B1 steel annealed for 8 h, the size of carbides and their number per unit area in the CM1 steel are 30% lower and 2.2‐fold higher, respectively. Due to finer ferrite grains, smaller carbides, and a higher amount of carbides, the strength of steel improves, and the plasticity slightly reduces after Cr–Mo addition. After 2 h of annealing, the yield strengths of Cr–Mo steels are 77.5–109.5 MPa higher than those of base steels; the elongations are above 20%. The contributions of the strengthening mechanism of steel to the yield strength are as follows (from high to low): grain boundary, precipitation, solid solution, and dislocation strengthening. [ABSTRACT FROM AUTHOR]

MXenes for supercapacitor (SC) electrodes is a very promising area of research. Supercapacitors are still behind batteries when to be used as primary energy source due to their low energy densities. Hence, additional research is vital to explore materials like MXenes for SC electrodes. The electronic properties of molybdenum nitride Mo2N are studied and its quantum capacitance (QC) is calculated to explore its potential for SC electrodes. The MXene is found to be metallic in nature. The QC values for Mo2N MXene are extremely high around Fermi level. Maximum value of 746.69 µF cm−2 is achieved which is way higher than that of graphene. The value remains high for the negative bias voltage as well. [ABSTRACT FROM AUTHOR]

Serpentinites, as important reservoirs for volatile and fluid‐mobile elements, have been increasingly recognized as playing a critical role in global geochemical cycles. However, direct evidence for their dominance in the molybdenum (Mo) cycle in subduction zones has been elusive. Here, we address this issue by comprehensively investigating the Mo isotope systematics of serpentinites and accompanying metabasites recovered from the Mariana forearc. Forearc serpentinites under low‐pressure conditions (blue‐ and lizardite‐serpentinites) show substantial enrichments in Mo/Ce ratios (0.42 to 27.34) with high δ98/95Mo values (−0.03‰ to 2.48‰), which arise from not only the incorporation of shallow forearc slab‐derived fluids but also late low‐temperature metasomatism by seawater during clast exhumation. Subducted oceanic crust represented by metabasites has low Mo/Ce ratios (0.004 to 0.049) and δ98/95Mo values (−1.13‰ to −0.61‰), indicating that the loss of Mo during oceanic crust alteration in the early or before subduction stage tends to decrease the Mo isotopic compositions. Combined Mo‐Sr‐Pb isotope systematics indicate that the high δ98/95Mo values in some arc lavas cannot be ascribed simply to the incorporation of slab‐derived fluids at subarc depths; instead, the injection of forearc serpentinite‐derived fluid into their mantle source is noteworthy. We propose that the mobilization of Mo by shallow slab‐derived fluids during the early subduction stage generated forearc lizardite‐bearing serpentinites enriched in heavy Mo isotopes. Subsequently, dehydration and melting of these serpentinites, dragged by the subducting slab down to the subarc region, might have contributed to the Mo systematics in arc lavas. This study demonstrated that forearc serpentinites may be important reservoirs for arc lavas with high Mo isotopic compositions and may contribute to the Mo cycling in subduction zones. Plain Language Summary: Serpentinites, as important reservoirs of volatile elements and mobile elements, play key roles in geochemical cycles. However, direct evidence that these rocks dominate the Mo cycle in subduction zones has been elusive. In this paper, we solve this problem by studying the molybdenum (Mo) isotope system of serpentinites and associated metabasites recovered from the Mariana forearc. The forearc serpentinites have high δ98/95Mo values due to modification by slab‐derived fluids and seawater. The δ98/95Mo values of the metabasites are relatively low, indicating that Mo isotope changes occurred during oceanic crust alteration. The forearc serpentinites with heavy Mo isotopes that experiencing dehydration and melting were dragged below the arc by the subducting slab, which have contributed to the Mo system in arc lava. This study showed that forearc serpentinite may act as an indispensable reservoir in the Mo cycle in subduction zones. Key Points: Forearc serpentinites show high Mo/Ce ratios and δ98/95Mo valuesLizardite‐serpentinites are influenced by shallow slab‐derived fluid, while blue‐serpentinites are influenced by late seawater metasomatismForearc serpentinites may contribute significantly to the Mo systematics in arc lavas [ABSTRACT FROM AUTHOR]

Catalysis of O‐atom transfer (OAT) reactions is a characteristic of both natural (enzymatic) and synthetic molybdenum‐oxo and ‐peroxo complexes. These reactions can employ a variety of terminal oxidants, e. g. DMSO, N‐oxides, and peroxides, etc. but rarely molecular oxygen. Here we demonstrate the ability of a set of Schiff‐base‐MoO2 complexes (cy‐salen)MoO2 (cy‐salen=N,N'‐cyclohexyl‐1,2‐bis‐salicylimine) to catalyze the aerobic oxidation of PPh3. We also report the results of a DFT computational investigation of the catalytic pathway, including the identification of energetically accessible intermediates and transition states, for the aerobic oxidation of PMe3. Starting from the dioxo species, (cy‐salen)Mo(VI)O2 (1), key reaction steps include: 1) associative addition of PMe3 to an oxo‐O to give LMo(IV)(O)(OPMe3) (2); 2) OPMe3 dissociation from 2 to produce mono‐oxo complex (cy‐salen)Mo(IV)O (3); 3) stepwise O2 association with 3 via superoxo species (cy‐salen)Mo(V)(O)(η1‐O2) (4) to form the oxo‐peroxo intermediate (cy‐salen)Mo(VI)(O)(η2‐O2) (5); 4) the O‐transfer reaction of PMe3 with oxo‐peroxo species 5 at the oxo‐group, rather than the peroxo unit leading, after OPMe3 dissociation, to a monoperoxo species, (cy‐salen)Mo(IV)(η2‐O2) (7); and 5) regeneration of the dioxo complex (cy‐salen)Mo(VI)O2 (1) from the monoperoxo triplet 37 or singlet 17 by a concerted, asynchronous electronic isomerization. An alternative pathway for recycling of the oxo‐peroxo species 5 to the dioxo‐Mo 1 via a bimetallic peroxo complex LMo(O)‐O−O‐Mo(O)L 8 is determined to be energetically viable, but is unlikely to be competitive with the primary pathway for aerobic phosphine oxidation catalyzed by 1. [ABSTRACT FROM AUTHOR]

Room‐temperature sodium–sulfur (RT Na–S) batteries have emerged as a promising candidate for next‐generation scalable energy storage systems, due to their high theoretical energy density, low cost, and natural abundance. However, the practical applications of these batteries are hindered by the notorious shuttle effect of soluble sodium polysulfides (NaPSs) and sluggish reaction kinetics, which result in fast performance loss. To address this issue, recent studies have reported impressive achievements of transition metal nanoparticles/single atoms/cluster/compounds (TM)‐based host materials with strong adsorption and catalyzation to NaPSs. These materials can significantly improve the electrochemical performance of RT Na–S batteries. In this review, the recent progress on TM‐based host materials for RT Na–S batteries, including iron (Fe)‐, cobalt (Co)‐, nickel (Ni)‐, molybdenum (Mo)‐, titanium (Ti)‐, vanadium (V)‐, manganese (Mn)‐, and other TM‐based materials are summarized. The design, fabrication, and properties of these host materials are comprehensively summarized and systematically analyzed the underlying chemical inhibition and electrocatalysis mechanism between NaPSs and TM‐based catalytic materials. At last, the challenges and prospects for designing efficient TM‐based catalytic materials for high‐performance RT Na–S batteries are discussed. [ABSTRACT FROM AUTHOR]

Advancing green hydrogen production technologies relies heavily on the development of highly efficient and durable bifunctional catalysts for overall water splitting. Herein, this study reports the ruthenium‐modified hollow cubic molybdenum‐cobalt phosphide (Ru‐MoCoP) as exceptional performance electrocatalyst for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Theoretical calculations and experimental results indicate that the incorporation of Ru not only serves as an efficient active site, but also adjusts the electronic structure and improves the reactivity of the original sites, as well as generates more phosphorus vacancies, which improves the electrical conductivity and exposes more active sites. Benefiting from the advantages triggered by the incorporation of Ru mentioned above, the Ru‐MoCoP delivers low overpotentials of 55 and 240 mV at 10 mA cm−2 for HER and OER, respectively. Furthermore, the electrolyzer assembled with Ru‐MoCoP achieves a current density of 50 mA cm−2 at 1.6 V and can be operated stably for 150 h. Notably, the assembled two‐electrode system can be powered by a single commercial AA battery, accompanied with evident gas bubble evolution. This research proposes a promising strategy for the development of highly efficient bifunctional phosphide catalysts, aiming to achieve efficient energy conversion in a wide range of industrial applications. [ABSTRACT FROM AUTHOR]

Lithium–iodine (Li–I2) batteries with ideal discharge potential plateau and abundant iodine resources have attracted considerable attention. However, the poor electrical conductivity of iodine with high solubility in organic electrolytes, and the Li dendrite issue have severely limited the practical application of Li–I2 batteries. Herein, this work demonstrates that the bifunctionalization of polypropylene (PP) separator with molybdenum clusters on N, O codoped graphene nanosheets (Mo‐rGO@PP) is efficient to promote the reversible redox reactions of polyiodides to suppress the shuttle effect, and enhance the Li affinity for the uniform Li plating/stripping. Typically, the Li symmetric battery assembled with Mo‐rGO@PP separator exhibits an ultralong lifespan of >2000 h with a low overpotential of <25 mV at 10 mA cm−2. With such a separation effect to effectively suppress the polyiodide shuttle and dendrite growth, the Li–I2 battery delivers a long cycle life of over 6000 cycles with a reversible capacity of 170 mAh g−1 at 10 C. With deep insights into the ion flux and redox regulation, this work demonstrates the promising advances via the separation effect for developing high‐performance redox batteries. [ABSTRACT FROM AUTHOR]

This work reports the synthesis of molybdenum based manganese oxide nanomaterials named as (CH1‐CH5) via a facile hydrothermal approach. Nanomaterials were characterized through Powder XRD, SEM, BET, UV‐Vis, Photoluminescence, and FTIR analysis. Structural characterization revealed triclinic crystal structure of nanomaterials having particle sizes in the range of 23.08–52.7 nm with very low levels of microstrain levels (<0.05) and dislocation densities. Surface areas were found to be in the range of 42.37–52.32 m2/g with mesoporous structures and solid bar and cross surface morphology. Optical band gaps (Eg) calculated from absorption data was found to be in the range of 4.65–4.75 eV for direct transitions whereas 4.60–4.74 eV for indirect transitions. The Eg calculated from emission data was found to be in the range of 2.42–2.67 eV. Absorption edge broadening was investigated by urbach energy (EU) calculated to be in the range of 1.23–1.51 eV whereas fermi energy (Ef) were obtained as 4.66–4.72 eV. Refractive index (n) was calculated to be in the range of 0.13–0.21 whereas high values obtained for real and imaginary parts of dielectric constants (ϵ) indicating polarization relaxation in synthesized materials. The calculated structural and optical characteristics indicates that these materials can be potential candidates for optoelectronic and catalytic applications. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: The development of highly efficient non‐precious‐metal‐based electrocatalysts for the hydrogen evolution reaction is imperative for promoting the large‐scale application of electrochemical water splitting. Herein, nitrogen/phosphorus co‐doped carbon nanorods encapsulated Mo2C nanoparticles (Mo2C@PNC) have been prepared by pre‐phosphating treatment in combination of the coordination with polydopamine and the subsequent pyrolysis. The phosphating temperature has a significant effect on the content of phosphorus within the resultant Mo2C@PNC, and the optimal catalyst delivers superior HER activity with the low overpotential of 104 mV at a current density of 10 mA·cm–2 and good stability for 8 h, which has been theoretically demonstrated to originate from the synergistic effect between P doping and Mo2C induced electron redistribution of nitrogen‐doped carbon layer. [ABSTRACT FROM AUTHOR]

Molybdenum ions with high valence states (Mo6+) can contribute to electrical conductivity and optical transmittance. For this reason, zinc oxide (ZnO) nanorods doped with molybdenum metal were fabricated on a glass substrate by ultrasonic spray pyrolysis method. The doping concentrations were between 0–10 mol%. The crystallographic properties of the resulting ZnO samples were examined by the X‐ray diffraction (XRD) technique. According to the XRD analysis, it was found that the lattice structure of the samples belonged to the hexagonal (wurtzite) unit cell. The XRD results indicated that the crystals grow in the c‐axis (002) direction. The morphological features of the obtained thin films were studied by field emission scanning electron microscopy. The energy‐dispersive X‐ray spectroscopy results displayed that the Mo ions were in the ZnO lattice. Four point probe method was used to determine the electrical conductivity properties of the samples. The 10% mol doped sample has the highest conductivity with values of between 1.58 × 10−9 and 1.58 × 10−6 (ohm‐cm)−1. The optical transmittances of the samples were measured at wavelengths between 300 and 1000 nm. It was observed that the produced films had high optical transparency which was approximately 85%. [ABSTRACT FROM AUTHOR]