Effects of collision energy and rotational quantum number on stereodynamics of the reactions: H( ² S) + NH( υ = 0, j = 0, 2, 5, 10)→N( ⁴ S) + H ₂

Abstract

The stereodynamical properties of H( 2 S) + NH(v = 0, j = 0, 2, 5, 10)→N( 4 S) + H 2 reactions are studied in this paper by using the quasi-classical trajectory (QCT) method with different collision energies on the double many-body expansion (DMBE) potential energy surface (PES) (Poveda L A and Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867). In a range of collision energy from 2 to 20 kcal/mol, the vibrational rotational quantum numbers of the NH molecules are specifically investigated on v = 0 and j = 0, 2, 5, 10 respectively. The distributions of P (θ r ), P (φ r ), P (θ r , φ r ), (2π/σ )(dσ 00 /dω t ) differential cross-section (DCSs) and integral cross-sections(ICSs) are calculated. The ICSs, computed for collision energies from 2 kcal/mol to 20 kcal/mol, for the ground state are in good agreement with the cited data. The results show that the reagent rotational quantum number and initial collision energy both have a significant effect on the distributions of the 𝑘-𝑗 , the 𝑘-𝑘 -𝑗 , and the 𝑘-𝑘 correlations. In addition, the DCS is found to be susceptible to collision energy, but it is not significantly affected by the rotational excitation of reagent.

Revisiting the Preparation Progress of Nano‐Structured Si Anodes toward Industrial Application from the Perspective of Cost and Scalability

“…Fang et al. [ 97 ] found that the addition of 8.9 wt% Ni helped to prepare straight Si‐NWs, however, because Ni is dense and has poor wettability with water, it was difficult to mix the metal particles of Ni with SiO 2 nanoparticles uniformly, so direct use of Ni particles as catalysts was not considered. Based on this, Zhang et al.…”

“…The four types of nanostructured Si and their preparation methods are summarized in Figure 1 . [ 71–75 ] The fabrication methods of 0D nanoparticles mainly include: Ball milling method, [ 76–78 ] plasma enhanced chemical vapor deposition (PECVD) technology, laser‐induced chemical vapor deposition (LICVD) technology, [ 79 ] radio frequency thermal plasma (RFTP) technology, [ 80–82 ] and solution synthesis method; [ 83–86 ] the fabrication processes of 1D nanowires and nanotubes mainly include: Vapor deposition method, [ 87–91 ] chemical etching method, [ 92,93 ] molten salt electrolysis (MSE) [ 94–97 ] and template method; [ 98,99 ] 2D thin‐films are mainly prepared by vapor deposition technology, [ 100,101 ] and magnetron sputtering technology; [ 102 ] 3D porous structure is the hot spot of research, and the synthesis routes mainly include: de‐alloying method for Si metal alloy, [ 103–108 ] magnesium thermal reduction method, [ 109 ] chemical etching, [ 110–112 ] magnesium evaporation method, [ 113,114 ] etc. In addition to these main methods above, there are some infrequent methods such as SiHCl 3 reduction method, [ 115,116 ] laser burning method, [ 117 ] electrostatic spinning, [ 118 ] and so on.…”