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61.
We consider a Schrödinger operator on , where V is a real-valued measurable function, and give an explicit and simple characterization of intrinsic ultracontractivity (IU) of the Schrödinger semigroup generated by L for a wide class of potentials. By making use of it, we also give new examples of potentials for which the semigroups satisfy (IU) or non-(IU). 相似文献
62.
Oxidative dehydrogenation (ODH) of n-octane was carried out over a vanadium–magnesium oxide catalyst in a continuous flow fixed bed reactor. The catalyst was characterized by ICP–OES, powder XRD and SEM. The catalytic tests were carried out at different gas hourly space velocities (GHSVs), viz. 4000, 6000, 8000, and 10,000 h?1. The best selectivity for octenes was obtained at the GHSV of 8000 h?1, while that for C8 aromatics was attained at the GHSV of 6000 h?1 at high temperatures (500 and 550 °C). The catalytic testing at the GHSV of 10,000 h?1 showed the lowest activity, while that at the GHSV of 4000 h?1 consistently showed the lowest ODH selectivity. Generally, the best ODH performance was obtained by the catalytic testing at the GHSVs of 6000 and 8000 h?1. No phasic changes were observed after the catalytic testing. 相似文献
63.
Jorge Ferreira Raquel Zilz Igor S. Boeira Sabrina M. da Silva Adriana C.A. Casagrande Osvaldo L. Casagrande 《应用有机金属化学》2019,33(3)
A new set of Cr(III) complexes, {L}CrCl3(THF), based on thiophene–imine ( 2a , L = PhOC6H4(N═CH)‐2‐SC4H3; 2b , L = PhOC2H4(N═CH)‐2‐SC4H3; 2c , L = Ph(NH)C2H4(N═CH)‐2‐SC4H3; 2d , L = PhOC6H4(N═CH)‐2‐SC4H2‐5‐Ph; 2e , L = Ph(NH)C2H4(N═CH)‐2‐SC4H2‐5‐Ph) have been prepared and characterized using elemental analysis and infrared spectroscopy. Upon activation with methylaluminoxane, all the chromium complexes generated active systems affording a nonselective distribution of α‐olefins with turnover frequencies in the range 9500–93 500 (mol ethylene) (mol Cr)?1 h?1, and producing mostly oligomers (95.0–99.3 wt% of total products). Small amounts of polymer were produced in these oligomerization reactions (0.8–8.2 wt%). The catalytic activities were quite sensitive to the ligand environment. Moreover, the effects of oligomerization parameters (temperature, [Al]/[Cr] molar ratio, time) on the activity and on the product distribution were examined. 相似文献
64.
This study reports the structural and spectroscopic characterization of a novel metal organic compound formulated as [Fe (bpy)3] [Fe (dipic)2]2.7H2O ( 1 ) (dipic = pyridine‐2,6‐dicarboxylate and bpy = 2,2′‐bipyridine). 1 was investigated by elemental analysis, FT‐IR spectroscopy, powder X‐ray diffraction and single crystal X‐ray diffraction (SC‐XRD), which revealed a triclinic structure of expected composition. Thermal degradation of 1 was also investigated. Complex 1 was used as a precursor to prepare superparamagnetic nanoparticles of Fe3O4 by thermal analysis. The obtained Fe3O4 was characterized by Fourier transformed infrared spectroscopy (FT‐IR), powder X‐ray diffraction (XRD) and scanning electron microscopy (SEM). Fe3O4 nanoparticles were used as a nano‐adsorbent to remove Cd2+ from water at room temperature. The results showed that this nano‐adsorbent is effective in removing Cd2+ from contaminated water sources, and that the maximal effectivity of adsorption occurs at pH = 6. Magnetic measurements of complex 1 and Fe3O4 nanoparticles at room temperature revealed paramagnetic and superparamagnetic behavior, respectively. 相似文献
65.
Dr. Longhai Zhang Prof. Tong Wei Dr. Zimu Jiang Prof. Zhuangjun Fan 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(19):5022-5027
To optimize the cycle life and rate performance of lithium-ion batteries (LIBs), ultra-fine Fe2O3 nanowires with a diameter of approximately 2 nm uniformly anchored on a cross-linked graphene ribbon network are fabricated. The unique three-dimensional structure can effectively improve the electrical conductivity and facilitate ion diffusion, especially cross-plane diffusion. Moreover, Fe2O3 nanowires on graphene ribbons (Fe2O3/GR) are easily accessible for lithium ions compared with the traditional graphene sheets (Fe2O3/GS). In addition, the well-developed elastic network can not only undergo the drastic volume expansion during repetitive cycling, but also protect the bulk electrode from further pulverization. As a result, the Fe2O3/GR hybrid exhibits high rate and long cycle life Li storage performance (632 mAh g−1 at 5 A g−1, and 471 mAh g−1 capacity maintained even after 3000 cycles). Especially at high mass loading (≈4 mg cm−2), the Fe2O3/GR can still deliver higher reversible capacity (223 mAh g−1 even at 2 A g−1) compared with the Fe2O3/GS (37 mAh g−1) for LIBs. 相似文献
66.
Two new Zn2Dy2 complexes were constructed from Zn (II) salen‐type Schiff base complex fragment and 2,6‐pyridinedimethanol (H2pdm) or its Br‐substituted analogue (4‐bromopyridine‐2,6‐diyl)dimethanol (H2Brpdm); their molecular formulas are [Zn2Dy2(L)2(pdm)2(MeOH)2](ClO4)2 [ 1 , H2L = N, N′‐ bis(3‐methoxysalicylidene)‐1,3‐diaminopropane] and [Zn2Dy2(L)2(Brpdm)2(MeOH)2](ClO4)2 [ 2 ], the Dy (III) ions of which have a NO7 triangular dodecahedral coordination sphere. The two complexes show not only ferromagnetic interaction but also field‐induced single‐molecule magnet (SMM) behavior, which are rare Dy (III)‐containing cluster complexes with the NO7 triangular dodecahedral coordination sphere that can show good magnetic relaxation. The energy barrier value of complex 2 is higher than those of complex 1 and the Dy (III) complexes with the DyNO7 triangular dodecahedral coordination configuration reported in the literature. 相似文献
67.
Yunliang Liu Peiji Deng Ruqiang Wu Ramadan A. Geioushy Yaxi Li Yixian Liu Fengling Zhou Haitao Li Chenghua Sun 《Frontiers of Physics》2021,16(5):53503
The large-scale production of ammonia mainly depends on the Haber–Bosch process, which will lead to the problems of high energy consumption and carbon dioxide emission. Electrochemical nitrogen fixation is considered to be an environmental friendly and sustainable process, but its efficiency largely depends on the activity and stability of the catalyst. Therefore, it is imperative to develop highefficient electrocatalysts in the field of nitrogen reduction reaction (NRR). In this paper, we developed a BiVO4/TiO2 nanotube (BiVO4/TNT) heterojunction composite with rich oxygen vacancies as an electrocatalytic NRR catalyst. The heterojunction interface and oxygen vacancy of BiVO4/TNT can be the active site of N2 dynamic activation and proton transition. The synergistic effect of TiO2 and BiVO4 shortens the proton transport path and reduces the over potential of chemical reaction. BiVO4/TNT has high ammonia yield of 8.54 μg·h−1·cm−2 and high Faraday efficiency of 7.70% in −0.8 V vs. RHE in 0.1 M Na2SO4 solution. 相似文献
68.
Two-dimensional van der Waals magnetic materials are intriguing for applications in the future spintronics devices, so it is crucial to explore strategy to control the magnetic properties. Here, we carried out first-principles calculations and Monte Carlo simulations to investigate the effect of biaxial strain and hydrostatic pressure on the magnetic properties of the bilayer CrI3. We found that the magnetic anisotropy, intralayer and interlayer exchange interactions, and Curie temperature can be tuned by biaxial strain and hydrostatic pressure. Large compressive biaxial strain may induce a ferromagneticto-antiferromagnetic transition of both CrI3 layers. The hydrostatic pressure could enhance the intralayer exchange interaction significantly and hence largely boost the Curie temperature. The effect of the biaxial strain and hydrostatic pressure revealed in the bilayer CrI3 may be generalized to other two-dimensional magnetic materials. 相似文献
69.
A series of chalcone ligands and their corresponding vanadyl complexes of composition [VO (LI–IV)2(H2O)2]SO4 (where LI = 1,3‐Diphenylprop‐2‐en‐1‐one, LII = 3‐(2‐Hydroxy‐phenyl)‐1‐phenyl‐propenone, LIII = 3‐(3‐Nitro‐phenyl)‐1‐phenyl‐propenone, LIV = 3‐(4‐Methoxy‐phenyl)‐1‐phenyl‐propenone) have been synthesized and characterized using various spectroscopic (Fourier‐transform infrared, electrospray ionization mass, nuclear magnetic resonance, electron paramagnetic resonance, thermogravimetric analysis, vibrating sample magnetometer) and physico‐analytic techniques. Antidiabetic activities of synthesized complexes along with chalcones were evaluated by performing in vitro and in silico α‐amylase and α‐glucosidase inhibition studies. The obtained results displayed moderate to significant inhibition activity against both the enzymes by vanadyl chalcone complexes. The most potent complexes were further investigated for the enzyme kinetic studies and displayed the mixed inhibition for both the enzymes. Further, antioxidant activity of vanadyl chalcone complexes was evaluated for their efficiency to release oxidative stress using 2,2‐diphenyl‐1‐picryl‐hydrazyl‐hydrate assay, and two complexes (Complexes 2 and 4 ) have demonstrated remarkable antioxidant activity. All the complexes were found to possess promising antidiabetic and antioxidant potential. 相似文献
70.
An efficient edge based data structure has been developed in order to implement an unstructured vertex based finite volume algorithm for the Reynolds-averaged Navier–Stokes equations on hybrid meshes. In the present approach, the data structure is tailored to meet the requirements of the vertex based algorithm by considering data access patterns and cache efficiency. The required data are packed and allocated in a way that they are close to each other in the physical memory. Therefore, the proposed data structure increases cache performance and improves computation time. As a result, the explicit flow solver indicates a significant speed up compared to other open-source solvers in terms of CPU time. A fully implicit version has also been implemented based on the PETSc library in order to improve the robustness of the algorithm. The resulting algebraic equations due to the compressible Navier–Stokes and the one equation Spalart–Allmaras turbulence equations are solved in a monolithic manner using the restricted additive Schwarz preconditioner combined with the FGMRES Krylov subspace algorithm. In order to further improve the computational accuracy, the multiscale metric based anisotropic mesh refinement library PyAMG is used for mesh adaptation. The numerical algorithm is validated for the classical benchmark problems such as the transonic turbulent flow around a supercritical RAE2822 airfoil and DLR-F6 wing-body-nacelle-pylon configuration. The efficiency of the data structure is demonstrated by achieving up to an order of magnitude speed up in CPU times. 相似文献