Acta Mechanica Sinica - Multi-scale finite element method is adopted to simulate wood compression behavior under axial and transverse loading. Representative volume elements (RVE) of wood... 相似文献
Nonlinear Dynamics - The hybrid neural model provides a computationally effective and biophysics-based neuron behavior model, which maintains its simplicity by incorporating the dynamics... 相似文献
The molecular geometries and dissociation energies of AnO (An = Bk–Lr) molecules were first obtained at thecoupled-cluster single-, double-, and perturbative triple-excitations [CCSD(T)] level of theory. Four hybrid functionals,B3LYP, M06-2X, TPSSh, and PBE0, were also employed in the calculations for the sake of comparison. In comparison ofthe CCSD(T) results, B3LYP, TPSSh, and PBE0 functionals can obtain more appropriate results than M06-2X and MP2.The analyses on molecular orbitals show that the 7s, 6d, and 5f atomic orbitals of actinide (An) atoms participate in thebonding of An–O bonds. The partial covalent nature between An and O atoms is revealed by QTAIM analyses. 相似文献
The hypochlorous acid (HCIO) was synthesized from seawater by the Pt/WO3 photocatalyst under visible-light irradiation. The effect of WO3 morphology and Pt loading on the performance of the composite photocatalyst for the production of HCIO has been studied in detail. The study found that among the series of materials, hollow WO3 microspheres with a diameter of about 3 μm loaded with 1.0 wt% Pt have the best HCIO production performance. Over it, 14.52 μM of HClO (1.24 mg/L of free chlorine) was accumulated in 0.5 M NaCl solution after 2 h of visible-light photoirradiation. What is more, the concentration of HClO can reach 4.34 μM (0.354 mg/L free chlorine) in natural seawater for 1 h using this Pt/WO3 photocatalyst. Under visible-light irradiation, the Pt/WO3 photocatalyst has a good broad-spectrum antibacterial activity and the activity of inhibiting marine fouling algae. The Pt/WO3 photocatalyst has high stability and reusability. All these characteristics are conducive to the application in the field of marine antifouling. Moreover, the photocatalytic reaction mechanism was evaluated by studying the photoelectrochemical properties of Pt/WO3/FTO. This research provides a new strategy for replacing the traditional electrolytic marine antifouling system with the visible-light-catalyzed HClO production system.
Surface plasmon can trigger or accelerate many photochemical reactions, especially useful in energy and environmental industries. Recently, molecular adsorption has proven effective in modulating plasmon-mediated photochemistry, however the realized chemical reactions are limited and the underlying mechanism is still unclear. Herein, by using in situ dark-field optical microscopy, the plasmon-mediated oxidative etching of silver nanoparticles (Ag NPs), a typical hot-hole-driven reaction, is monitored continuously and quantitatively. The presence of thiol or thiophenol molecules is found essential in the silver oxidation. In addition, the rate of silver oxidation is modulated by the choice of different thiol or thiophenol molecules. Compared with the molecules having electron donating groups, the ones having electron accepting groups accelerate the silver oxidation dramatically. The thiol/thiophenol modulation is attributed to the modulation of the charge separation between the Ag NPs and the adsorbed thiol or thiophenol molecules. This work demonstrates the great potential of molecular adsorption in modulating the plasmon-mediated photochemistry, which will pave a new way for developing highly efficient plasmonic photocatalysts. 相似文献