Quasiclassical trajectory study on the integral cross-section and stereodynamics information of the reaction O ( 1 D) + H 2 (v = 0, j = 0 ) → OH + H

Abstract

Integral cross-section and stereodynamics study of the reaction O 1 D + H 2 (v = 0, j = 0) → OH + H is undertaken using the quasiclassical trajectory (QCT) method for the collision energy is in the large length of 1.3 to 43 kcal/mol using Dobbyn and Knowles (DK) surface, and the obtained results are compared with those available from earlier available calculated results on the BR surface. The integral cross sections obtained from the quasiclassical trajectory method are in good agreement with those of Chebyshev wave packet method for collision energies above 0.2 eV. We also investigated the vector correlations and polarized dependent differential cross sections (PDDCS) at different collision energies. It is demonstrated that the alignment and state distribution significantly decrease with increase in the collision energy.

Constructing a honeycomb‐inspired Ni‐Co LDHs@CFs enhanced polymer composites with high strength, aging resistance and excellent anti‐wear for tribological applications

“…Nowadays, layer double hydroxides (LDHs), as inorganic special layered‐crystalline material, have a large surface area, interchangeable anions, tunable composition, enriched hydroxyl groups, and biocompatibility. Based on the outstanding advantages, LDHs have been widely used in adsorption, supercapacitor, corrosion‐resistant, fire‐retardant, and anti‐bacterial fields 22–28 . Moreover, LDHs nanomaterials have expected to wear resistance and controllable nanostructure 29,30 .…”

Operando Raman and DFT Analysis of (De)lithiation in Fast-Charging, Shear-Phase H-Nb2O5

“…Second, the utilization of this anisotropy during electrode preparation, such as by controlling the crystal orientation to make the 1-D channels perpendicular to the current collector, would be beneficial for decreasing tortuosity in lithium diffusion and improving the battery's charge rate, as shown for T-Nb 2 O 5 with a quasi-2D lithium transport pathway. 21 This strategy could be achieved by applying an external magnetic field after introducing ferrofluid particles on the surface of the materials or by directly selecting Wadsley materials with magnetism among niobium compounds, or at least designing the ideal shear phase using dopants like Ni, Fe, and Co. 33,34 Third, the property of faster lithiation, compared to delithiation, in the shear structure makes it more suitable as an anode in a full cell. This is beneficial in meeting practical battery demands that require faster charge rates than discharge rates in portable devices and electrified vehicles.…”