Search

The increasing severity of global climate and energy problems has made renewable energy an inevitable choice for achieving a low-carbon society. Hydrogen is regarded as one of the most promising renewable energy due to its excellent characteristics, such as abundant and extensive resources, high calorific value, and non-pollution. How to achieve efficient hydrogen storage is one of the main hot spots of hydrogen energy research. For on-board hydrogen storage systems, which could be used for portable power sources and fuel cell vehicles, how to store hydrogen safely and effectively is one of the most urgent technological bottlenecks to overcome. The solid-state storage based on hydrogen storage materials has the advantages of low hydrogen storage pressure, high energy efficiency, safety and reliability, compared to conventional compressed hydrogen and cryogenic liquid hydrogen storage methods. It may be one of the most promising solutions to solve the above problems. Among the hydrogen storage materials, the lightweight composite hydrides Li–Mg–N–H system holds great promise for vehicular hydrogen storage applications owing to its moderate thermodynamic properties (∆Hdes ~ 44 kJ mol−1 H2 and ∆Sdes ~ 112 J mol−1 H2·K) and relatively high hydrogen capacity (~ 5.6 wt%). However, the Li–Mg–N–H material itself has poor cycling performance and a high energy barrier, resulting in a low dehydrogenation rate and high operating temperature. Apart from this, the multi-field coupling of mass and energy transfer also poses a challenge, hindering its on-board applications. In this paper, we present the modification methods and research status of the Li–Mg–N–H system's hydrogen storage materials. The effects of composition modification, nanocrystallization and catalyst addition on the thermal/kinetic properties of hydrogen storage materials in the Li–Mg–N–H system are expounded. The difficulties and directions for enhancing the hydrogen storage performance of Li–Mg–N–H system are discussed. [ABSTRACT FROM AUTHOR]

Ink jet printing is for the first time introduced into the synthesis of aluminophosphate (AlPO) and silicoaluminophosphate (SAPO) zeolite. As a high-throughput technique, 256 zeolite precursors with multiple formulations could be obtained within 2 h, while the product phase was regulated relative to the variant compositions. [ABSTRACT FROM AUTHOR]

MgH 2 has been attracted extensive attention because of its superior hydrogen storage performance and good reversibility. Further improvement of its kinetics and thermodynamic performances is needed to achieve widespread application. This article investigated the hydrogen storage properties of the thermodynamic optimized Mg-TiCrV hydrogen storage composite modified by layered Ti 3 C 2 materials containing different 3d transition metal particles (Fe, Co, Ni). Mg-TiCrV/Ti 3 C 2 -X (X = Fe, Co, Ni) composites can absorb more than 5.30 wt% hydrogen within 1 min at 453 K under 3 MPa hydrogen pressure, and desorb more than 5.25 wt% hydrogen within 60 min at 543 K to 0.1 MPa. In particular, Mg-TiCrV/Ti 3 C 2 -Ni composite exhibited the best hydrogen storage properties, which can desorb 4.98 wt% hydrogen within 60 min at 523 K to 0.1 MPa hydrogen pressure and absorb 5.80 wt% hydrogen within 1 min at 453 K under 3 MPa hydrogen pressure. Structural analysis shows that the synergistic effect of layered material Ti 3 C 2 and Ni particles promote the hydrogen release and uptake process. [Display omitted] • Mg-TiCrV/Ti 3 C 2 -X (X = Fe, Co, Ni) hydrogen storage composites are successfully prepared by ball milling. • The Mg-TiCrV/Ti 3 C 2 -Ni composite exhibits the best hydrogen release and uptake kinetics properties. • The sufficient contact between Ni and the Ti 3 C 2 matrix improve the hydrogen release/uptake performance of Mg-TiCrV composites. • The hydrogen release kinetics models of Mg-TiCrV/Ti 3 C 2 -X (X = Fe, Co, Ni) composites were clarified. [ABSTRACT FROM AUTHOR]

Mg-20 wt% Ti x Cr 0.8-x V 0.2 (x = 0.25, 0.35, 0.45, 0.55) nanocomposites were synthesized by Reactive Ball Milling (RBM) under 5.0 MPa H 2 for 8 h at room temperature. The morphology, crystal structure, and isothermal hydrogen ab-/desorption properties of the as-milled nanocomposites were investigated. X-ray diffraction confirms that the composites were composed of nanocrystalline β-MgH 2 , γ-MgH 2 and Ti-Cr-V 0.2 H y (1.91 < y < 2.01) phases. High-Resolution Transmission Electron Microscopy (HRTEM) images reveal that nanocrystalline β-MgH 2 , γ-MgH 2 and Ti 0.35 Cr 0.45 V 0.2 H y phases coexist on nano-level in the as-milled composites. Differential scanning calorimeter (DSC) results show that MgH 2 -20 wt% Ti 0.35 Cr 0.45 V 0.2 composite presents the minimum decomposition temperature (256 °C) among the studied composites and a relatively low activation energy of 86.43 kJ/mol. The hydrogen desorption capacity of MgH 2 -20 wt% Ti 0.35 Cr 0.45 V 0.2 composite reach to 5.30 wt% within 20 min at 270 °C under 0.01 MPa H 2 , compared with that only 0.1 wt% H 2 for pure MgH 2 powders under the same conditions. Besides, the hydrogenation and dehydrogenation enthalpies are determined to be −69.35 and 70.60 kJ/(mol⋅H 2) respectively, which show a significant decrease compared with that of Mg/MgH 2 systems. More importanly, the β-MgH 2 phase is found to decompose along with γ-MgH 2 and Ti-Cr-V 0.2 H y phases at the temperature ranging from 210 to 270 °C. It reveals the favorable synergetic desorption effect among γ-MgH 2 , β-MgH 2 and Ti 0.35 Cr 0.45 V 0.2 H y phases, which possibly leads to better dehydrogenation kinetics and thermodynamics properties of Mg/MgH 2 systems. Nanocrystalline Mg-20wt%Ti x Cr 0.8-x V 0.2 composites were synthesized. Highest content of metastable γ-MgH 2 phase(36.19wt%) was obtained. The desorption temperature of Mg-20wt%Ti 0.35 Cr 0.45 V 0.2 is 84 °C lowers than pure MgH2. Good synergetic desorption effect among Ti 0.35 Cr 0.45 V 0.2 Hy, γ-MgH2 and β-MgH2 phases. [ABSTRACT FROM AUTHOR]

Abstract: Significant improvements in the hydrogen absorption/desorption properties of the 2LiNH2–1.1MgH2–0.1LiBH4 composite have been achieved by adding 3wt% ZrCo hydride. The composite can absorb 5.3wt% hydrogen under 7.0 MPa hydrogen pressure in 10 min and desorb 3.75wt% hydrogen under 0.1 MPa H2 pressure in 60 min at 150 °C, compared with 2.75wt% and 1.67wt% hydrogen under the same hydrogenation/dehydrogenation conditions without the ZrCo hydride addition, respectively. TPD measurements showed that the dehydrogenation temperature of the ZrCo hydride-doped sample was decreased about 10 °C compared to that of the pristine sample. It is concluded that both the homogeneous distribution of ZrCo particles in the matrix observed by SEM and EDS and the destabilized N–H bonds detected by IR spectrum are the main reasons for the improvement of H-cycling kinetics of the 2LiNH2–1.1MgH2–0.1LiBH4 system. [ABSTRACT FROM AUTHOR]

Abstract: Mg–20wt% Ni–Y composite was successfully prepared by reactive mechanical alloying (RMA). X-ray diffraction (XRD) measurement showed that both MgH2 and Mg2NiH4 co-exist in the milled composite. The composite exhibits excellent hydrogen sorption kinetics and does not need activation on the first hydrogen storage process. It can absorb 3.92 and 5.59wt% hydrogen under 3.0MPa hydrogen pressure at 293 and 473K in 10 min, respectively, and desorb 4.67wt% hydrogen at 523K in 30min under 0.02MPa hydrogen pressure. The equilibrium desorption pressure of the composite are 0.142, 0.051 and 0.025MPa at 573, 543 and 523K, respectively. The differential scanning calorimetry (DSC) measurement showed that dehydrogenation of Mg–20wt% Ni–Y composite was depressed about 100K comparing to that of milled pure MgH2. It is deduced that both the catalysis effect of Mg2Ni and YH3 distributed in Mg substrate and the crystal defects formed by RMA are the main reason for improving hydrogen sorption kinetics of the Mg–20wt% Ni–Y composite. [Copyright &y& Elsevier]

Hydrogenation of dibenzyltoluene (DBT) is of great significance for the application in liquid organic hydrogen carriers (LOHCs). We successfully develop Mg-based metal hydrides (Mg 2 NiH 4 , MgH 2 , and LaH 3) reactive ball-milling for the hydrogenation of DBT. Mg-based metal hydrides milled with 500 min exhibit the best catalytic activity, the hydrogen uptake of DBT can reach 4.63 wt% at the first 4 h and finally achieve 5.70 wt% through 20 h, which is the first time to use hydrogen storage material as a catalyst for the hydrogenation of DBT. The excellent catalytic hydrogenation performance of Mg-based metal hydrides mostly originates from numerous catalytic activity centers formed at the surfaces of Mg 2 NiH 4 nanoparticles in the MgH 2 matrix. Inspired by this mechanism, more general metal hydrides can be explored for catalyzing the hydrogenation of LOHCs. The new application of Mg-based metal hydrides is beneficial to developing efficient LOHC based hydrogen storage systems and offers novel insights to hydride-based catalysts. • Mg-based metal hydrides (MgH 2 , Mg 2 NiH 4 , and LaH 3) were prepared by reactive ball-milling. • Mg-based metal hydrides milled with 500 min exhibited the best catalytic hydrogenation activity of dibenzyltoluene. • The maximum hydrogen uptake of dibenzyltoluene can reach 5.70 wt%. • Mg 2 NiH 4 is a main catalytic phase in Mg-based metal hydrides. [ABSTRACT FROM AUTHOR]

Solid-state hydrogen storage device using metal hydride have enormous advantages for fuel cell forklifts. In addition to high volume hydrogen storage density, the solid-state hydrogen storage device can also be used as a counterweight for the forklift. At the same time, the solid-state storage device has low hydrogen storage pressure and safety, and the fuel (H 2) refueling is convenient and low-cost. In this paper, a two-dimensional heat and mass transfer numerical model has been developed to predicting the performance of the metal hydride tank filled with Ti 0.9 Zr 0.1 Cr 0.35 Mn 1.4 V 0.2 Fe 0.05 alloy. The validity of this numerical model was tested by comparison with the experimental data of the metal hydride hydrogen storage tank with a hydrogen capacity of 1 kg, achieving a good agreement between all the data. And a solid-state hydrogen storage device with an effective hydrogen capacity of 1.5 kg is optimally designed for 3.5 T fuel cell forklift. The completion rate of hydrogen refueling in the solid-state hydrogen storage device will reach 97.6 % within 30 min, and continuously discharging over 1.5 kg H 2 under flow rates of 150 SL/min and 250 SL/min. The optimized solid-state hydrogen storage device was integrated in a power module for 3.5 T fuel cell forklift which allows uninterrupted operation for at least 6 h 8 min under rated operation. • Establish and verify a heat and mass transfer model of metal hydride bed. • The solid-state H 2 storage device is optimized using the numerical model. • The H 2 storage device can release over 1.5 kg H 2 and refuel 97.6 % in 30 min • The fuel cell forklift can operate continuously over 6 h. [ABSTRACT FROM AUTHOR]

Hysteresis of hydrogen storage alloys essentially hinders the compressibility and operation efficiency of metal hydride hydrogen compressors. In this work, minor Al additive was added into Ti–Cr based hydrogen compression alloys through induction levitation melting, and the apparent hysteresis was successfully ameliorated. The XRD and SEM results indicate homogeneous element distribution of a main C14 Laves phase of Ti 0.96 Zr 0.06 Cr 1.0 Mn 0.6 Fe 0.4 Al x (x = 0, 0.01, 0.02, 0.04, 0.08) alloys, and vanishing of a minor oxide phase in case the Al additive is introduced. As Al stoichiometry increases in the alloys, the hydrogenation plateau decreases obviously but the dehydrogenation plateau hardly changes. Meanwhile, the hydrogen capacity ascends initially but descends slightly. Additionally, no severe performance degradation is induced. The mechanism for overall performance improvement can be concluded as dual functions of Al additive: one can be oxide reduction of other elements during melting determined by XPS and ICP, and the other can be partial Al substitution for the B-side elements, leading to relieved deformation energy surrounding the vacant Al-containing interstitials. As to hydrogenation kinetics, the alloys exhibit accelerated hydrogenation rate with increased Al stoichiometry due to decreased activation energy and hydrogenation plateau. Furthermore, the first-principles calculation results indicate random Al substitution for the B-side atoms, and anisotropic expansion of the unit cell can be attributed to Al substitution at 6h sites. This work reveals a simple and effective way to enhance hydrogen storage performance of Ti–Cr based alloys. [Display omitted] • Influence of minor Al additive in Ti–Zr–Cr–Mn–Fe based alloys is investigated. • Hysteresis is remarkably modified by Al additive with overall enhanced performance. • Reduction and substitution dual-effect of Al is key mechanism for modification. • Results of first-principles calculation indicate random Al substitution at B-sites. • Optimum stoichiometry of Al additive should be 0.01–0.04 in the studied alloys. [ABSTRACT FROM AUTHOR]

Getter alloy has the advantages of low cost and high hydrogen purity in small and medium-scale hydrogen purification. However, the commonly used ZrMnFe alloy is reactive to various impurities in hydrogen, and requires a temperature above 600 °C to remove methane. To improve reactivity with methane and ensure a high hydrogen adsorption platform pressure, partial substitution of Fe with Ni, which has a smaller bonding energy with methane ligand, is beneficial. In this work, we prepared ZrMnFeNi alloys with different Ni stoichiometric ratios by suspension induction melting and investigated their performance in purifying hydrogen containing trace amounts of methane. All alloys maintain C14 Laves phase, and the interplanar spacing of the (103) crystal planes decreases with the replacement of Ni. It is proved that ZrMnFeNi alloys can significantly improve the absorb efficiency of methane in hydrogen and reduce the removal temperature. At 450 °C, ZrMnFe 0.7 Ni 0.3 can remove 10 ppm methane to 0.124 ppm. The purification efficiency of hydrogen at 450 °C can reach 96.94%, while the purification efficiency of ZrMnFe alloy is only 27.12%. The ZrMnFe 0.7 Ni 0.3 alloy decomposes methane into carbon and hydrogen during purification, and the carbon diffuses into the alloy at high temperature to form a metal carbide with zirconium. The XPS results show that the electron-rich state of Ni is more beneficial for activating the C–H bond breaking of methane. • Ni contents is optimized for the best hydrogen purification performance. • Purification temperature reduction and efficiency improvement attributed to Ni doping. • The ZrMnFe 0.7 Ni 0.3 can remove 10 ppm methane in hydrogen to 0.124 ppm at 450 °C. • Electron-rich Ni may be more conducive to the activation of C–H bond cleavage. [ABSTRACT FROM AUTHOR]

The ambition of carbon neutrality has become a common pursuit for researchers worldwide, and hydrogen as a green and clean energy carrier is expected to contribute to this achievement. Since hydrogen fuel cell vehicles require a high input hydrogen pressure, compressors in hydrogen refueling stations are thus indispensable for the large-scale application of hydrogen energy. Compared to conventional mechanical hydrogen compressors, metal hydride based hydrogen compressors have the advantages of high security and low cost, providing a viable solution for hydrogen refueling station development. Herein, two series of Ti 0.95 Zr 0.07 Cr 1.3- x Mn x Fe 0.4 (x = 0.2, 0.3, 0.4, 0.6) and Ti 0.95 Zr 0.07 Cr 1.0 Mn 0.6 Fe 0.4- y Cu y (y = 0.1, 0.15, 0.2, 0.3) alloys were designed to achieve 8–22 MPa hydrogen compression in water bath at 283–353 K. All the as-prepared alloys exhibit the single hexagonal C14 Laves phase structure. In particular, the double substitution of Cr and Fe by Cu and Mn elements in Ti–Zr–Cr–Mn–Fe alloy can enlarge its hydrogen storage capacity without varying the equilibrium pressure. For instance, Ti 0.95 Zr 0.07 Cr 1.0 Mn 0.6 Fe 0.25 Cu 0.15 alloy has a hydrogenation plateau pressure of 6.16 MPa at 283 K and a dehydrogenation plateau pressure of 24.23 MPa at 353 K, with the max hydrogen capacity of 1.72 wt%. Furthermore, the relative high density molding method of metal hydride bed with 20 g of alloy powder was developed. The binder epoxy resin and the thermal conductor flake graphite were selected and added into the alloys to form metal hydride compacts (MHCs). The structural stability of modified MHCs can be enhanced due to the formation of a three-dimensional grid structure, with a higher resistance to pulverization and degradation. The improved thermal conductivity involving a filling compact strategy can significantly shorten hydrogenation reaction time by 50% and lower the abrupt temperature of metal hydride bed by 20 K with excellent stability over 100 cycles, and provide new insights of the development of safe and efficient hydride hydrogen compressor. [Display omitted] • The double substitution of Cr and Fe by Cu and Mn enhances thermodynamic hydrogen storage performance. • Optimal Ti-based alloy has de-hydrogenation plateau pressures of 24.23 MPa (353 K) and 5.74 MPa (283 K) with 1.72 wt% capacity. • A three-dimensional grid structure of epoxy resin and flake graphite is introduced to enhance the efficiency of the MHHC. [ABSTRACT FROM AUTHOR]

Summary: TixCr1 − yFeyMn1.0 (x = 1.02, 1.05, 1.1, 0.05 ≤ y ≤ 0.25) alloys were prepared by plasma arc melting and annealing at 1273 K for 2 hours. The XRD results show that the main phase of all alloys is the C14 type Laves phase, and a little secondary phase exists in a mixture of the binary alloy phase. The lattice parameters increase with Ti super‐stoichiometry ratio increasing, whereas smaller lattice parameters emerge with increasing Fe stoichiometry content. Additionally, as the Ti super‐stoichiometry ratio decreases, the pressure‐composition‐temperature measurements indicated that hydrogen absorption and desorption plateau pressures of TixCr0.9Fe0.1Mn1.0 (x = 1.1, 1.05, 1.02) alloys increase from 3.15, 0.67, to 5.94, 1.13 MPa at 233 K, respectively. On the other hand, with the Fe content increasing in Ti1.05Cr1 − yFeyMn1.0 (0.1 ≤ y ≤ 0.25) alloys from 0.1 to 0.25, the hydrogen desorption plateau pressures increased from 1.41 to 2.46 MPa at 243 K. The hydrogen desorption plateau slopes reduce to 0.2 with Ti super‐stoichiometry ratio decreasing to 1.02, but the alloys are very difficult to activate for hydrogen absorption and cannot activate when the Fe substituting for Cr exceeds 0.2. The maximum hydrogen storage capacities were more than 1.85 wt% at 201 K. The reversible hydrogen storage capacities can remain more than 1.55 wt% at 271 K. The enthalpy and entropy for all hydride dehydrogenation are in the range of 21.0 to 25.5 kJ/mol H2 and 116 to 122 J mol−1 K−1, respectively. Our results suggest that Ti1.05Cr0.75Fe0.25Mn1.0 alloy with low enthalpy holds great promise for a high hydrogen pressure hybrid tank in a hydrogen refueling station (45 MPa at 333 K), and the other alloys of low cost may be used for a potable hybrid tank due to high dissociation pressure at 243 K and high volumetric density exceeding 40 kg/m3. [ABSTRACT FROM AUTHOR]

The rare earth hydrogen storage alloy was coated with the same contents of carbon particles using sucrose, glucose, pitch, and chitosan as carbon sources, and compared with the samples of uncoated and mechanically mixed with the carbon powder. The results show that the maximum discharge capacity (C max), high-rate dischargeabilitiy (HRD), and cyclic stability after 500 cycles (S 500) are improved to various degrees by carbon coating. It is found that the better the fluidity of carbon source in the carbonization process, the more uniform the carbon distributed on the alloy surface, and the longer the cyclic life of the alloy electrode. The less impurity remained after carbonization and the higher degree of graphitization of carbon, the better the electrocatalytic activity and HRD performance of the alloy electrode. The alloy coated with carbon particles using sucrose as carbon source has the best electrochemical properties. Compared with the uncoated sample, the C max of the alloy electrode increases from 354.5 to 359.0 mAh/g, the HRD 1200 increases from 65.84% to 74.39%, and the S 500 increases from 63.14% to 69.63%. • The morphology and structure of coated carbon are determined by carbon sources. • The higher the graphitization degree, the better the electrocatalytic activity and HRD. • The better the uniformity of distribution of coated carbon, the longer the cycle life. • The carbon coated alloy using sucrose as carbon source exhibited the best electrochemical properties. [ABSTRACT FROM AUTHOR]

High-purity hydrogen is extensively employed in chemical vapor deposition, and the existence of methane impurity significantly impacts the device performance. Therefore, it is necessary to purify hydrogen to remove methane. The ZrMnFe getter commonly used in the industry reacts with methane at a temperature as high as 700 °C, and the removal depth is not sufficient. To overcome these limitations, Co partially substitutes Fe in the ZrMnFe alloy. The alloy was prepared by suspension induction melting method, and was characterized by means of XRD, ICP, SEM and XPS. The concentration of methane at the outlet was detected by gas chromatography to characterize the hydrogen purification performance of the alloy. The removal effect of the alloy on methane in hydrogen increases first and then decreases with the increase in substitution amount, and increases with the increase in temperature. Specifically, the ZrMnFe0.7Co0.3 alloy reduces methane levels in hydrogen from 10 ppm to 0.215 ppm at 500 °C. ZrMnFe0.7Co0.3 alloy can remove 50 ppm of methane in helium to less than 0.01 ppm at 450 °C, demonstrating its excellent methane reactivity. Moreover, Co substitution reduces the formation energy barrier of ZrC, and Co in the electron-rich state demonstrates superior catalytic activity for methane decomposition. [ABSTRACT FROM AUTHOR]

The Y 1- x Mg x Ni 2.1 (x = 0, 0.1, 0.2, 0.3, 0.4, 0.5) alloys were prepared by sintering method in this work. The effect of Mg on structural transformation, hydrogen storage properties, and structural stability were investigated. It is found that with the increase of Mg substitution the abundance of (Y, Mg)Ni 2 phase increases and the total amount of (Y, Mg)Ni 3 and (Y, Mg) 2 Ni 7 phases first increases and then decreases. Mg preferentially enters into the (Y, Mg)Ni 2 phase. When the Mg content in (Y, Mg)Ni 2 phase is higher than 0.2, the (Y, Mg)Ni 2 phase forms and does not undergo hydrogen induced amorphization and disproportionation. The hydrogen storage capacity decreases owing to the transformation from (Y, Mg)Ni 2 phase to the more stable (Y, Mg)Ni 3 phase. When the Mg content in (Y, Mg)Ni 2 phase increases to 0.5, the atomic radius ratio of A -side to B -side reduces to less than 1.37, there is no capacity attenuation after 50 cycles. • With the increase of Mg substitution, (Y, Mg)Ni 2 phase increases and (Y, Mg)Ni 3 phase decreases. • Mg preferentially enters into (Y, Mg)Ni 2 phase and not (Y, Mg)Ni 3 phase. • The (Y, Mg)Ni 2 phase does not undergo hydrogen induced amorphization and disproportionation. • There is no capacity attenuation after 50 cycles, when Mg content in (Y, Mg)Ni 2 phase increases to 0.5. [ABSTRACT FROM AUTHOR]

To improve the poisoning resistance of ZrCo alloy, Pd membranes have been prepared over the surface of the alloy substrates by using electroless plating method. The characteristics of Pd membranes have been examined by XRD, SEM, EDS and EPMA technologies. From SEM images, the uniform and compact thin Pd film was revealed. The effect of this Pd film was evaluated by comparing the hydrogen absorption properties of bare and Pd-coated ZrCo specimens in contaminated hydrogen gas. The degradation of hydrogen absorption of Pd-coated ZrCo induced by poisoning was less than that of bare ZrCo sample obviously, meaning that the Pd membranes over the surface of substrates appeared to be effective in improving the poisoning resistance of ZrCo alloy. Furthermore, the effect became more significant with the increasing of impurity contents in the experimental gas and the operation temperatures. [ABSTRACT FROM AUTHOR]

Based on the modification of natural products and the active substructure splicing method, a series of new N-(thiophen-2-yl) nicotinamide derivatives were designed and synthesized by splicing the nitrogen-containing heterocycle natural molecule nicotinic acid and the sulfur-containing heterocycle thiophene. The structures of the target compounds were identified through 1H NMR, 13C NMR and HRMS spectra. The in vivo bioassay results of all the compounds against cucumber downy mildew (CDM, Pseudoperonospora cubensis (Berk.et Curt.) Rostov.) in a greenhouse indicated that compounds 4a (EC50 = 4.69 mg/L) and 4f (EC50 = 1.96 mg/L) exhibited excellent fungicidal activities which were higher than both diflumetorim (EC50 = 21.44 mg/L) and flumorph (EC50 = 7.55 mg/L). The bioassay results of the field trial against CDM demonstrated that the 10% EC formulation of compound 4f displayed excellent efficacies (70% and 79% control efficacies, respectively, each at 100 mg/L and 200 mg/L) which were superior to those of the two commercial fungicides flumorph (56% control efficacy at 200 mg/L) and mancozeb (76% control efficacy at 1000 mg/L). N-(thiophen-2-yl) nicotinamide derivatives are significant lead compounds that can be used for further structural optimization, and compound 4f is also a promising fungicide candidate against CDM that can be used for further development. [ABSTRACT FROM AUTHOR]

In order to achieve rapid hydrogen charging and discharging of high-density hydrogen storage alloys in metal hydride (MH) tank, it is key to optimize the design of MH tank by simulation based on a credible numerical model. Herein, a multi-physical field mathematical model coupled with kinetic equations and heat & mass transfer equations for the de-/hydrogenation of Ti 0.95 Zr 0.05 Mn 0.9 Cr 0.9 V 0.2 alloy in MH tank is proposed. According to experimental kinetic curves, appropriate kinetic equations dominated by different rate control steps are chosen for simulating gas-solid reactions. With excellent match between experimental and simulated kinetic results under different pressure and temperature operating conditions, a novel numerical model is established to predict the local temperature variation during the de-/hydrogenation of Ti 0.95 Zr 0.05 Mn 0.9 Cr 0.9 V 0.2 alloy in a self-designed hydrogen storage tank with high-density hydrogen storage of 55.1 g H 2 /L. Interestingly, further calculated results reveal that the temperature evolution can be accurately matched, which proves the reliability of the designed numerical model and favors to predict the de-/hydriding behaviors. This investigation provides an effective means for subsequent structure optimization and energy & mass transfer performance optimization of high-density hydrogen storage devices, and sheds light on the numerical simulation of heat & mass transfer for advanced energy storage applications. [Display omitted] • The quasi-tangent equations are proposed to describe the thermodynamic properties. • The de-/hydriding kinetic model of high-density hydrogen storage alloy is confirmed. • Thermodynamic and kinetic equations are coupled in self-established simulation model. • The simulation model can predict the temperature profile of a Ti-based hydride tank. [ABSTRACT FROM AUTHOR]

Twenty-one N-phenyl heteroarylamine analogues of fluazinam 3a-3u were prepared via nucleophilic substitution reaction of 2,6-dichloro-3,5-dinitrotoluene with heteroarylamines using the intermediate derivatization method. 2,6-Dichloro-3,5-dinitrotoluene, the key intermediate, was synthesized by nitration of 2,6-dichlorotoluene. The synthesized compounds were identified by H NMR, C NMR, MS and elemental analyses. Preliminary bioassays indicated that most of the compounds showed good fungicidal activity against rice blast. The activity of 3p was equal to that of fluazinam. The relationship between molecular structure and biological activity suggested that introduction of electron-withdrawing groups in the pyridine ring was important for optimizing fungicidal activity against rice blast. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

RE-Y-Ni-based superlattice alloys have been studied for their high hydrogen storage capacity and excellent activation properties. However, their practical applications in gas-solid hydrogen storage devices are limited by their low hydrogen absorption/desorption platform pressure and the occurrence of a double platform phenomenon. In this study, we investigated the phase structure and gas-solid hydrogen storage properties of La 1−x Ce x Y 2 Ni 10.95 Mn 0.45 (x = 0, 0.15, 0.30, 0.45, 0.60, 0.75) alloys. As the Ce content increases, the content of Ce 2 Ni 7 phase and the platform pressure also increase, while the hydrogen storage capacity and hydrogen desorption enthalpy decrease. When the Ce content increases to 0.45, the Gd 2 Co 7 phase disappears and the LaNi 5 phase appears, the hydrogen absorption/desorption platform of the alloy changes from a double platform to a single platform. However, the increase in Ce content leads to a higher amount of residual hydrogen during the dehydrogenation process, attributed to the increased content of the Ce 2 Ni 7 phase. The La 0.55 Ce 0.45 Y 2 Ni 10.95 Mn 0.45 alloy exhibits a hydrogen absorption capacity of 1.61 wt%, with a capacity retention of 97.89% after 100 cycles, and achieves a hydrogen desorption platform pressure of 0.23 MPa. These results indicate that this alloy demonstrates the best overall hydrogen storage performance, characterized by high platform pressure and hydrogen storage capacity. • The Ce 2 Ni 7 phase content increases with the increases of Ce. • The hydrogen desorption platform pressure is greater than that of 0.1 MPa when x ≥ 0.45. • The alloy exhibits a single platform in the PCT curve when x ≥ 0.45. [ABSTRACT FROM AUTHOR]

To reduce the cost and modulate hydrogen storage performances of Ti-based Laves phase alloys for the application of inputting 3.2 MPa feed hydrogen and outputting 8 MPa hydrogen with water bath, three series of less-vanadium Ti–Zr–Mn–Cr–V based alloys were prepared by induction levitation melting, and their microstructure and hydrogen storage properties were systematically investigated. All alloys consist of a single C14-type Laves phase with well-distributed elements. With vanadium decreasing in Ti 0.95 Zr 0.05 Mn 0.9+ x Cr 0.9+ x V 0.2-2 x (x = 0–0.02) and Ti 0.93 Zr 0.07 Mn 1.1+ y Cr 0.7+ z V 0.2- y - z (y = 0, 0.05, z = 0–0.05) stoichiometric alloys, the hydrogen equilibrium pressure increases and hydrogenation kinetics is slightly deteriorated. After introducing Ti hyper-stoichiometry, Ti 0.93+ w Zr 0.07 Mn 1.15 Cr 0.7 V 0.15 (w = 0–0.04) alloys show decreased hydrogen equilibrium pressure, high hydrogen capacity and enhanced kinetics. Among alloys mentioned, Ti 0.95 Zr 0.07 Mn 1.15 Cr 0.7 V 0.15 has optimum performances including useable capacity of 1.07 wt% at working conditions, together with satisfactory cycling durability. This study guides for compositional design of high-density hydrogen storage multi-component alloys. [Display omitted] • Low-vanadium Ti–Zr–Mn–Cr–V based alloys were developed for high-hydrogen storage. • The kinetics is evidently improved by the introduction of Ti hyper-stoichiometry. • Ti 0·95 Zr 0·07 Mn 1·15 Cr 0·7 V 0.15 alloy has the best overall properties for application. [ABSTRACT FROM AUTHOR]

Abstract: Rare earth–Mg–Ni-based hydrogen storage alloy has been synthesized by vacuum induction levitation melting and sieved into five particle size fractions from 120 mesh to below 800 mesh. The effect of particle size on the electrochemical behaviors has been investigated. It was found that the alloy electrode with the particle size of 220–325 mesh exhibited better cyclic stability and high rate dischargeability than the larger or smaller alloy powders. The pulverization and the surface oxidation/corrosion have been studied by SEM, AES, and XPS methods. The results showed that the pulverization rate became faster with the increase of the particle size. The formation of an oxide layer with proper thickness during cycling can effectively improve the cyclic stability for the 220–325 mesh alloy electrode. The capacity degradation and the electrochemical kinetics of the alloy electrodes of different particle sizes are determined by the pulverization rate and the oxidation of active components on the alloy surface during cycling in the alkaline electrolyte. [Copyright &y& Elsevier]

Abstract: In this study, various nanoscale metal oxide catalysts, such as CeO2, TiO2, Fe2O3, Co3O4, and SiO2, were added to the LiBH4/2LiNH2/MgH2 system by using high-energy ball milling. Temperature programmed desorption and MS results showed that the Li–Mg–B–N–H/oxide mixtures were able to dehydrogenate at much lower temperatures. The order of the catalytic effect of the studied oxides was Fe2O3 >Co3O4 >CeO2 >TiO2 >SiO2. The onset dehydrogenation temperature was below 70°C for the samples doped with Fe2O3 and Co3O4 with 10wt.%. More than 5.4wt.% hydrogen was released at 140°C. X-ray diffraction indicated that the addition of metal oxides inhibited the formation of Mg(NH2)2 during ball milling processes. It is thought that the changing of the ball milling products results from the interaction of oxide ions in metal oxide catalysts with hydrogen atoms in MgH2. The catalytic effect depends on the activation capability of oxygen species in metal oxides on hydrogen atoms in hydrides. [Copyright &y& Elsevier]

Abstract: In this paper, hydriding in a cylindrical metal hydride hydrogen storage tank containing HWT5800 (Ti0.98Zr0.02V0.43Fe0.09Cr0.05Mn1.5) is numerically studied with a two-dimensional mathematical model. The heat and mass transfer of this model is computed by finite difference method. The effects of supply pressure, cooling fluid temperature, overall heat transfer coefficient and height to the radius ratio of the tank (H/R) on the hydriding in the hydrogen storage tank are studied. It is found that hydride formation initially takes place uniformly all over the bed and hydriding processes take place at a slower rate at the core region. Supply pressure, cooling fluid temperature and overall heat transfer coefficient play significant roles during the absorption of hydrogen. At the H/R=2 both maximum bed temperature and the average bed temperature are the highest, and the hydride bed takes the longest time to saturate. [ABSTRACT FROM AUTHOR]

The A 2 B 7 -type (LaSmY) (NiMnAl) 3.5 alloys were prepared by induction melting, and then the alloy samples coated with different contents of nano-carbon were prepared by the mixing and sintering method using pitch as carbon source. The effects of the contents and structure of the coated-carbon on the electrochemical properties of alloy samples were investigated. With the carbon content increase from 0.1 to 1.0 wt%, the cyclic stability is improved and the high-rate dischargeabilitiy (HRD) of the alloy electrodes first increase and then decrease. The kinetic results show that the carbon coating improves the electrocatalytic activity and electrical conductivity of the alloy electrodes. The alloy electrode with 0.5 wt% carbon coating exhibits the best electrochemical properties. The maximum discharge capacity (C max) is 345.7 mAh·g−1, the HRD 1200 is 72.49%, and the capacity retention rate (S 300) is 79.44%. • The cyclic stability of alloys increased as increased of carbon content. • The HRD of alloys first increased and then decreased as increased of carbon content. • The alloy with 0.5 wt% carbon coating exhibited the best electrochemical properties. • Carbon coating can enhance the electrical conductivity of the alloy. • The higher graphitization degree corresponds to the higher electrocatalytic activity. [ABSTRACT FROM AUTHOR]

Ti 0.85 Zr 0.17 Cr 1.2- x Fe 0.8 V x (x = 0–0.2), Ti 0.85 Zr 0.17 Cr 1.2- y Fe 0.7+ y V 0.1 (y = 0–0.25) and Ti 0.87- z Zr 0.15+ z Cr 0.95 Fe 0.95 V 0.1 (z = 0–0.04) alloys for metal hydride hydrogen compressor at moderate working temperatures were prepared by induction levitation melting. Their microstructures and hydrogen storage properties were systematically investigated. The results show that all Ti–Zr–Cr–Fe–V based alloys have a single C14 Laves phase structure. As the V content in the Ti 0.85 Zr 0.17 Cr 1.2- x Fe 0.8 V x (x = 0–0.2) alloys increases, better activation kinetics and larger hydrogen storage capacity are achieved, while the plateau pressure decreases and the plateau slope factor increases. Similarly, the hydrogen storage capacity, the plateau pressure and the plateau slope factor of the Ti 0.87- z Zr 0.15+ z Cr 0.95 Fe 0.95 V 0.1 (z = 0–0.04) alloys vary identically with Zr content increasing. Conversely, these three properties vary oppositely with increasing Fe content in the Ti 0.85 Zr 0.17 Cr 1.2- y Fe 0.7+ y V 0.1 (y = 0–0.25) alloys. Among the studied alloys, Ti 0.85 Zr 0.17 Cr 0.95 Fe 0.95 V 0.1 possesses the best overall properties for the designed moderate hydrogen compression application. [Display omitted] • Ti–Zr–Cr–Fe–V alloys are developed for hydride H 2 compressor at mild temperatures. • Effects of element partial substitution on the alloy properties are investigated. • Ti 0.85 Zr 0.17 Cr 0.95 Fe 0.95 V 0.1 possesses excellent properties for application. [ABSTRACT FROM AUTHOR]

The research on safe and efficient hydrogen storage methods is the key scientific and technological issue which restricts the implementation of hydrogen economy. Lithium amidoborane (LiNH2BH3) has received extensive attention for its excellent hydrogen storage properties. It can desorb 10.9 wt% of hydrogen below 100 °C without deleterious by-product such as borazine. What is more, it is chemically stable at room-temperature conditions. The preparation methods and crystal structure of LiNH2BH3 were reviewed at length in this paper, and its dehydrogenation performance and mechanisms were analyzed combined with the theoretical calculation results. Moreover, the barriers and improvement measures in hydrogen release thermodynamics/kinetics and regeneration of the spent fuel were summarized. It is proposed that reducing the synthesis cost, decreasing dehydrogenation temperature with increased rates, and exploring high-efficiency, low-energy consumption, and low-cost regeneration techniques are the critical striving directions of lithium amidoborane. To the best of our knowledge, this work is the first review focusing on LiNH2BH3, one of the most promising materials for onboard hydrogen storage application, which is expected to give clues for the next advance of LiNH2BH3. [ABSTRACT FROM AUTHOR]

Lithium amidoborane (LiNH 2 BH 3) is known as one of the most prospective hydrogen storage materials. In this paper, the differences between two allotropes (α-LiNH 2 BH 3 and β-LiNH 2 BH 3) of LiNH 2 BH 3 in the dehydrogenation properties was reported for the first time. A series of mixtures of α-LiNH 2 BH 3 /β-LiNH 2 BH 3 with different mass ratios were prepared by ball milling for different time and the contents of two phases in samples were determined with Rietveld's method. The thermal decomposition behaviors of samples were investigated by DSC. It shows that the initial dehydrogenation temperature of samples decreases with the content of α-LiNH 2 BH 3 phase increasing. The initial dehydrogenation temperature of α-LiNH 2 BH 3 is about 61 °C, which is approximately 15 °C lower than that of β-LiNH 2 BH 3. Dehydrogenation kinetic analysis shows that α-LiNH 2 BH 3 has the lower activation energy (157 kJ mol−1) and higher rate (k = 1.422 × 101 min−1) than that of β-LiNH 2 BH 3 (272 kJ mol−1 and 1.023 × 10−1 min−1, respectively). It is suggested that α-LiNH 2 BH 3 is more supportive for hydrogen desorption. It gives a critical clue on exploring the dehydrogenation mechanism of lithium amidoborane. Moreover, the significant decrease of desorption temperature will shine a light on on-board hydrogen storage systems. • The two allotropes of LiNH 2 BH 3 have different dehydrogenation properties. • The onset dehydrogenation temperature of α-LiNH 2 BH 3 is lower than that of β-LiNH 2 BH 3. • α-LiNH 2 BH 3 has the lower activation energy and higher rate than that of β-LiNH 2 BH 3. [ABSTRACT FROM AUTHOR]

[Display omitted] • A combined experimental and numerical study of hydrogen compression bed is performed. • A theoretical framework is summarized for model construction and verification. • Two tanks filled with 20 g and 700 g alloy are designed to confirm the simulation. • The section view of temperature distribution for de-/hydrogenation can be predicted. A slow kinetic rate caused by the strong exothermic/endothermic effect is the main bottleneck restricting the practical application of metal hydride tanks for hydrogen compression. Numerical simulation is a powerful way to optimize the thermal management of the system, as long as a quantitative model can be obtained for accurate predictions of de-/hydrogenation performance. Here, we focus on a combined experimental and numerical study of the specific Ti 0.92 Zr 0.10 Cr 1.0 Mn 0.6 Fe 0.4 hydride beds. The kinetic and thermodynamic parameters for the hydrogen absorption and desorption required by the simulation model are first determined, accompanied by an excellent coincidence between measured and fitted results. Meanwhile, two cylindrical test tanks of different sizes were designed to illustrate the hydrogenation and dehydrogenation properties of the metal hydride bed in different scenarios, with 20 g of powder in the small reactor and 700 g in the large one. Further results reveal that the temperature evolution curves obtained from experiments can be well matched with simulation, proving the dependability of the self-designed numerical model and favoring the subsequent performance optimization of the metal hydride tanks. This investigation is of general value for the numerical simulation of advanced hydrogen storage applications. [ABSTRACT FROM AUTHOR]

Rusts are one of the most important fungal diseases, the known target sites have already developed serious resistance to the main existing classifications of fungicides. In order to discover novel fungicides with a promising activity on rusts, twenty new substituted difluoromethylpyrimidinamine derivatives were designed and synthesized with the aid of the intermediate derivatization methods starting from ethyl 4,4-difluoro-3-oxobutanoate that is the common raw material in some newly launched important succinate dehydrogenase inhibitor (SDHI) fungicides. Their structures were identified by 1 H NMR, 13 C NMR, 19 F NMR, IR, elemental analyses and HRMS. All the compounds were screened for in vivo fungicidal activity against southern corn rust (SCR). The preliminary bioassay results indicated that 5-chloro-6-(difluoromethyl)- N -(2-(6-(3-(trifluoromethyl)phenoxy)pyridin-3-yl)ethyl)pyrimidin-4-amine (compound J , R 1 = CHF 2 , Alk = CH 2 CH 2 , Rn = 3-CF 3 ) is the optimal structure with desired fungicidal activity against SCR (EC 50 = 2.16 mg/L), significantly higher than commercial fungicides diflumetorim (EC 50 = 53.26 mg/L) and propiconazole (EC 50 = 3.92 mg/L). The structure–activity relationship of the synthesized compounds was discussed as well. This study also demonstrated that difluoromethylpyrimidinamine derivatives can be further utilized as a promising antifungal agent to control rust. Further synthesis and structure optimization studies are currently in progress. [ABSTRACT FROM AUTHOR]

Hydrogen is the ideal green fuel and carbon-neutral energy carrier alternative to nonrenewable fuel sources. The high construction cost of hydrogen refueling stations has become one of the limitations to the further promotion and application of hydrogen energy. To realize 8–22 MPa hydrogen compression under mild conditions, the low cost Ti 0.95 Zr 0.07 Cr 1.7- x Mn 0.3 Fe x (x = 0–0.5) alloys were designed and prepared by magnetic levitation melting in this work. The effect of Fe on Cr substitution on the microstructure and hydrogen storage properties of the alloy has been systematically investigated. With the increase of Fe substitution for Cr, all the alloys maintain a single C14 Laves phase, the thermodynamic plateau curve broadens and rises, while the hydrogen storage capacity diminishes slightly. For a better description of the thermodynamic properties of alloys at high temperatures as the function of temperature, a non-linear Van't Hoff fitting is introduced with satisfactory prediction. On account of significant Fe substitution for Cr, the unit cell shrinks and the interstitial size of alloy decreases, an optimal alloying constituent, Ti 0.95 Zr 0.07 Cr 1.3 Mn 0.3 Fe 0.4 , has been proposed and experimentally proved for the first time. This alloy exhibits the best overall performances and the plateau pressure is respectively 5.74 MPa for hydrogenation at 283 K and 25.97 MPa for dehydrogenation at 353 K without apparent hysteresis phenomenon. The hydrogen storage capacity is 1.59 wt% within 3 min and dehydrogenation enthalpy is 21.20 kJ/mol H 2. This study provides a comprehensive insight into the low-cost hydrogen storage alloy design and application on quick response and high cycle stability metal hydride hydrogen compressors. [Display omitted] • Ti 0.95 Zr 0.07 Cr 1.7- x Mn 0.3 Fe x alloys were explored to realize 8–22 MPa hydrogen compression. • The effects of Fe on Cr substitution on hydrogen compression properties were revealed. • A non-linear Van't Hoff fitting was developed to forecast high hydrogen compression property. [ABSTRACT FROM AUTHOR]

In situ reactive high-energy ball milling was employed to prepare nano Mg-V-CsF hydrogen storage materials. The morphology, crystal structure, isothermal hydrogen ab-/desorption properties of the composites and possible catalytic mechanisms were investigated. The as-synthesized Mg-V-CsF nanocomposites are comprised of β-MgH 2 , γ-MgH 2 , VH 0.81 , MgF 2 and CsH phases as confirmed by X-ray Diffraction analysis. Among as synthesized materials, the Mg-5 V-3CsF powders possess excellent de-/absorption kinetic property, indicated by the shorter time of 35 min required to desorb 7.0 wt% H 2 and higher hydrogen storage capacity (7.0 wt% H 2). Besides, the dehydrogenation enthalpy of as milled Mg-5 V-3CsF composite is determined to be the 68.98 kJ/(mol·H 2). XRD and XPS analysis provide the evidences that MgF 2 and CsH phases co-existed in the Mg-5 V-3CsF composite. The superior hydrogen absorption properties of the Mg-V-CsF composites can be attributed to the in situ formation of CsH and MgF 2. Whereas, it suffers the sluggish dehydrogenation kinetics, caused by the H-H exchange effect between CsH and MgH 2. In this regard, this paper sheds light on catalytic mechanisms of two different types of catalysts (V/CsF) and put on the ways to achieve optimal hydrogen storage properties of Mg/MgH 2 systems by "synergetic" catalytic effect between VH x and in situ formation of CsH/CsF/MgF 2. • The first study of the Mg-V-CsF composites by reactive ball milling. • High reversible hydrogen storage capacity of Mg-V-CsF composites. • In situ formation of CsH and MgF 2 through reaction between MgH 2 and CsF. • "Synergetic" catalytic effect between V and CsF/CsH/MgF 2. [ABSTRACT FROM AUTHOR]

In situ reactive high-energy ball milling was employed to prepare nano Mg-V-CsF hydrogen storage materials. The morphology, crystal structure, isothermal hydrogen ab-/desorption properties of the composites and possible catalytic mechanisms were investigated. The as-synthesized Mg-V-CsF nanocomposites are comprised of β-MgH 2 , γ-MgH 2 , VH 0.81 , MgF 2 and CsH phases as confirmed by X-ray Diffraction analysis. Among as synthesized materials, the Mg-5 V-3CsF powders possess excellent de-/absorption kinetic property, indicated by the shorter time of 35 min required to desorb 7.0 wt% H 2 and higher hydrogen storage capacity (7.0 wt% H 2). Besides, the dehydrogenation enthalpy of as milled Mg-5 V-3CsF composite is determined to be the 68.98 kJ/(mol·H 2). XRD and XPS analysis provide the evidences that MgF 2 and CsH phases co-existed in the Mg-5 V-3CsF composite. The superior hydrogen absorption properties of the Mg-V-CsF composites can be attributed to the in situ formation of CsH and MgF 2. Whereas, it suffers the sluggish dehydrogenation kinetics, caused by the H-H exchange effect between CsH and MgH 2. In this regard, this paper sheds light on catalytic mechanisms of two different types of catalysts (V/CsF) and put on the ways to achieve optimal hydrogen storage properties of Mg/MgH 2 systems by "synergetic" catalytic effect between VH x and in situ formation of CsH/CsF/MgF 2. • The first study of the Mg-V-CsF composites by reactive ball milling. • High reversible hydrogen storage capacity of Mg-V-CsF composites. • In situ formation of CsH and MgF 2 through reaction between MgH 2 and CsF. • "Synergetic" catalytic effect between V and CsF/CsH/MgF 2. [ABSTRACT FROM AUTHOR]

To discover new strobilurin analogues with high activity, a series of new fluorine-containing strobilurin derivatives were synthesized utilizing intermediate derivatization methods (IDM). The compounds were identified by 1 H and 19 F nuclear magnetic resonance (NMR), IR and elemental analysis. Preliminary bioassays in greenhouse indicated that compounds 2a (SYP-3759, flufenoxystrobin) and 2c exhibited excellent fungicidal activities against Erysiphe graminis protecting wheat at 1.56 mg L −1 concentration and compounds 2a showed a moderately high acaricidal activity at 10 mg L −1 . Field trials showed the fungicidal activities of compounds 2a and 2c is almost equivalent to that of pyraclostrobin, higher than that of triadimefon and the acaricidal activity of compound 2a is almost equivalent to that of pyidaben, but lower than that of fluacrypyrim. The preliminary mammalian toxicology results showed compound 2a was a low-toxicity compound. In conclusion compound 2a is a promising candidate for further development; mammalian toxicology and ecotoxicology with compound 2a are in progress. [ABSTRACT FROM AUTHOR]

Diphenylamine derivatives have been reported with good fungicidal, insecticidal, acaricidal, rodenticidal and/or herbicidal activities. To find new lead compound of this kind, a series of novel diphenylamine derivatives were designed and synthesized by the approach of Intermediate Derivatization Methods. All compounds were identified by 1 H NMR and elemental analysis. Bioassays demonstrated that some compounds substituted at 2,4,6-positions or 2,4,5-positions of phenyl ring B exhibited excellent fungicidal activities. The optimal compounds P30 and P33 showed 80% and 85% control respectively against cucumber downy mildew at 12.5 mg L −1 , both 100% control against rice blast at 0.3 mg L −1 and both 100% control against cucumber gray mold at 0.9 mg L −1 . The relationship between structure and fungicidal activities was discussed as well. [ABSTRACT FROM AUTHOR]

Hydrogen, as a clean and renewable energy carrier, is often considered as one of the optimal substitutes for fossil fuels, which could achieve non-polluting transportation in the field of hydrogen fuel cell vehicles (HFCVs). To bring about a guarantee in the long-distance transportation of HFCVs, the safety and ultrahigh pressure of hydrogen charge are required according to the high-pressure onboard tanks, consequently facilitating the development of compressors used in hydrogen refueling stations (HRSs). Compared with traditional mechanical hydrogen compressors, metal hydride hydrogen compressors (MHHCs) hold much more potentials due to their high security, great sealing, and lower maintenance cost. Therefore, the contents associated with MHHCs have been reported by a large number of articles, patents, and books, mainly focusing on the improvement of systematic compression ratio, the modification, and optimization of each-stage hydrogen compression material. In this review, we describe the fundamental aspects of MHHCs firstly, including the working principle of compressors, the thermodynamic and kinetic characteristics of hydrogen compression materials, simultaneously proposing an innovative three-stage MHHC design. The research progress of each-stage materials based on a three-stage MHHC is also discussed, where LaNi 5 -based alloys are mainly used in high-density hydrogen storage and primary hydrogen compression, while TiCr 2 -based alloys are considered as the candidate alloys in intermediate and final hydrogen compression. Also, ZrFe 2 -based alloys possessing extremely high plateau pressures, are promising in the application of the final stage. What's more, the effects of different alloying elements on the hydrogen storage properties of TiCr 2 are emphatically summarized. Finally, we also discuss the remaining challenges and look forward to the directions of emerging research for hydrogen compression materials. [Display omitted] • The working principle and characteristics of metal hydride hydrogen compressors are introduced briefly. • An innovative three-stage metal hydride hydrogen compressors design based on a Chinese project is narrated. • The research progress of each-stage hydrogen compression material is discussed systematically. • The outlook and remaining challenges upon hydrogen compression materials are delivered in detail. [ABSTRACT FROM AUTHOR]

Highlights: [•] Application of the strategies of intermediate derivatization method. [•] Trifluoromethyl, a very strong electron withdrawing group, plays an important role on fungicidal activity. [•] Characterization of target compounds using 1H NMR, 13C NMR, 19F NMR, elemental analysis, HRMS and X-ray. [•] Excellent fungicidal activity against Puccinia polysora. [•] Detailed structure and activity relationship of target compounds. [Copyright &y& Elsevier]

Abstract: In this paper, Ti-x wt.% Zr (x = 25, 30, 35) alloys were developed and their hydrogen absorption properties were characterized systematically. Phase structure investigation indicates that experimental Ti-x wt.% Zr (x = 25, 30, 35) alloys are solid solutions with HCP (hexagonal close-packed) structure. And the X-ray diffraction patterns of hydrided alloys showed that the main phase composition is FCC (face-centered cubic) structure, the minority FCC Ti2ZrH4 phase was also observed in hydrided Ti-30 wt.% Zr alloy. Besides, the hydrogen absorption thermodynamic and kinetic properties were characterized, thermodynamic calculation was combined with experiments for the first time, thermodynamic model of the Ti–Zr–H ternary system was developed by using first-principles calculations combined with CALPHAD (CALculation of PHase Diagrams) method, the predicted PCT curves agree well with experimental data. Properties of Ti-x wt.% Zr (x = 0–50) alloys at 573 K were also predicted. [Copyright &y& Elsevier]

• Y 33.33 Ni 66.67- x Al x (0 ≤ x ≤ 33.33) samples have been synthesized. • Phase occurrence and structural properties were studied. • Relationship between the phase occurrence and the H 2 absorption reversibility is discussed. The Y 33.33 Ni 66.67 -x Al x system has been investigated in the region 0 ≤ x ≤ 33.3. The alloys were synthesized by induction melting. Phase occurrence and structural properties were studied by X-Ray powder Diffraction (XRD). The Al solubility in each phase has been investigated by XRD and Electron Probe Micro-Analysis (EPMA). The hydrogenation properties were characterized by pressure-composition isotherm measurements and kinetic curves at 473 K. For x = 0, the binary Y 33.33 Ni 66.67 alloy crystallizes in the cubic superstructure with F 4 ̅ 3 m space group and ordered Y vacancies. For 1.67 ≤ x ≤ 8.33, the alloys contain mainly Y(Ni, Al) 2 and Y(Ni, Al) 3 pseudobinary phases; while for 16.67 ≤ x ≤ 33.33 they are mainly formed by ternary line compounds Y 3 Ni 6 Al 2 , Y 2 Ni 2 Al and YNiAl. Contrary to the binary Y 33.33 Ni 66.67 , Y(Ni, Al) 2 pseudo-binary compounds crystalize in C 15 phase (space group Fd 3 ¯ m) with disordered Y vacancies. The solubility limit of Al in the C 15 YNi 2- y Al y phase is y = 0.11 (i.e., x = 3.67). The Y(Ni, Al) 3 phase changes from rhombohedral (PuNi 3 -type, R 3 ¯ m) to hexagonal (CeNi 3 -type, P 6 3 /mmc) structure for x increasing from 5.00 to 6.67. Upon hydrogenation, the disproportion of C 15 Y(Ni, Al) 2 and losses of crystallinity of YNi and Y 2 Ni 2 Al are the main reasons causing capacity decay of Y 33.33 Ni 66.67- x Al x (0 ≤ x ≤ 33.33) alloys upon cycling. [ABSTRACT FROM AUTHOR]

• Crystal and electron structure affect hydrogen storage properties of V-based alloys. • Hydrogen capacity decreases and plateau pressure rises with BCT phase constriction. • Approximate parabolic relationship between hydrogen capacity and electron density. • Excellent cycle durability with capacity retention rate of 97% after 100 cycles. • Small attenuation is due to crystal refinement and small contraction of BCT phases. [Display omitted] V-based hydrogen storage alloys are considered promising materials with high hydrogen capacity under ambient conditions. 75 V-Ti-15Cr alloys with different Fe and Al addition (1–3 at%) have been investigated. All the alloys are confirmed to show body-centered tetragonal (BCT) structure after dehydrogenated at room temperature. The PCT tests manifest that the hydrogen storage capacity decreases and desorption plateau pressure rises with the content of Fe or Al. The relationship between the hydrogen storage property and lattice parameters of BCT phase is discussed. Also, the relationship between hydrogen capacity and electron density is analyzed. Among the studied alloys, the 75 V-Ti-15Cr-1Al-1Fe alloy shows optimal hydrogen storage capacity (2.26 wt%) and plateau pressure (0.5 MPa) at room temperature. Cycle test proves that the optimized 75 V-Ti-15Cr-1Al-1Fe alloy possesses excellent durability and the retention rate of hydrogen capacity can achieve 97% after 100 cycles. The slight capacity attenuation possibly results from the derivation of lattice defects and small contraction of the hydrogen absorption phases. [ABSTRACT FROM AUTHOR]

Abstract: Effect of heat treatment and Ce additive on the plateau property of Ti32Cr46V22 BCC alloy was studied. Heat treatment is useful way to make the plateau slope comparatively flatter due to the homogenization of microstructure, and Ce additive further improves the flatness of plateau and enlarges the hydrogen capacity because of both homogenizing of composition and lowering the oxygen concentration. The heat-treated Ti32Cr46V22Ce0.4 alloy with hydrogenation capacity of 3.65wt% can release 2.00 and 2.52wt% hydrogen at 298 and 343K and the pressure of 0.1MPa, respectively. [Copyright &y& Elsevier]

Abstract: The effect of Al additive on microstructures and hydrogen storage characteristics of Ti26.5Cr20(V0.45Fe0.085)100−x Al x Ce0.5 (x =0, 0.5, 1.0 and 1.5at.%) alloys have been studied by X-ray diffraction (XRD), scanning electron microscopy (SEM) and P–C-isotherm measurements. All of Al-added alloys consist of major BCC and secondary Al–Ce–O phases. The EDS analysis results show that aluminum is poor in the BCC phase but enriches in the secondary Al–Ce–O phase. As Al additive content increased, both the lattice parameters of the BCC phase and the hydrogen desorption equilibrium pressures increase, but the hydrogen storage capacities decrease. It is revealed that the substitution solid solution with BCC structure is formed by the substitution of Al for V atoms. It decreases the hydride stability of the BCC phase and degrades the hydrogen storage performance of the Al-added Ti26.5Cr20(V0.45Fe0.085)100−x Al x Ce0.5 alloys. [Copyright &y& Elsevier]

• Ti-Zr-Mn-Cr-V alloys were developed for high-density hydrogen storage. • Performances under mild condition are improved by element partial substitution. • Ti 0.95 Zr 0.05 Mn 0.9 Cr 0.9 V 0.2 exhibits comprehensive properties on hydrogen storage. [Display omitted] Two series of Ti 1- x Zr x Mn 1.1 Cr 0.7 V 0.2 (x = 0.05, 0.06, 0.07, 0.1) and Ti 0.95 Zr 0.05 Mn 1.8- y Cr y V 0.2 (y = 0.5, 0.7, 0.9) alloys were developed for high-density hydrogen storage units. The effect of partial substitution of Zr for Ti and Cr for Mn on microstructures as well as hydrogen storage performances was systematically investigated. All prepared alloys are determined as a single phase of C14-type Laves structure and uniform element distribution. As Ti is increasingly substituted with Zr in the Ti 1- x Zr x Mn 1.1 Cr 0.7 V 0.2 (x = 0.05–0.1) alloys, the hydrogen storage capacity increases gradually, while the plateau pressures decrease drastically. For Ti 0.95 Zr 0.05 Mn 1.8- y Cr y V 0.2 (y = 0.5–0.9) alloys, with the increase substitution of Cr for Mn, equilibrium pressure hysteresis of de-/hydrogenation improves significantly, while the plateau pressures and the hydrogen storage capacity decrease slightly. Among the studied alloys, Ti 0.95 Zr 0.05 Mn 0.9 Cr 0.9 V 0.2 is the most suitable for high-density hydrogen storage units with excellent cycling performances. The hydrogen storage capacity is 1.78 wt% in gravimetry and 118.33 kg/m3 in volumetry. The desorption plateau pressure at 90 ℃ is 9.37 MPa with extremely low hysteresis, and dissociation enthalpy is − 21.64 kJ mol−1. This work provides a guideline for the alloy composition design of Ti-based alloys. [ABSTRACT FROM AUTHOR]