The dynamic growth of MOCVD-grown ZnO thin films under temperature effect was systematically investigated by a numerical approach using computational fluid dynamics (CFD) technique. A three-dimensional (3D) reactor-scale model was developed to determine the growth rate and uniformity of ZnO thin film in the temperature range of 593 K to 713 K. The mixed-convection flow and heat transfer inside the reactor chamber were assessed. The results showed that as the temperature increased, ZnO thickness increased initially before decreasing. At 673 K, the highest deposition rate with acceptable uniformity was achieved. The admixture of transverse and longitudinal rolls was observed for the flow conditions. Temperature variations were found to directly affect the axial and lateral uniformity of deposition, but had a minor impact on the size and position of transverse rolls. Experimental verification studies were conducted, and high-quality ZnO films were successfully fabricated by using diethylzinc (DEZn) and tertiarybutanol (t-BuOH) as precursors; it was found that the comprehensive thickness and structural properties of ZnO deposited at temperature of 673 K are preferred. Experimental results and numerical simulations exhibited good agreement.

Motivated by the prominent catalytic performance and durability of nanoalloy catalysts, the Pd-based bimetallic nanoalloy catalysts were prepared using an aqueous reduction method. The Fe-Pd bimetallic nanoalloy catalyst (nano-Fe/Pd) demonstrated 98.4% yield and 99.7% selectivity for the unsaturated 1,4-dicarboxylic acid diesters. Moreover, the inductively coupled plasma (ICP) analysis shows that the Pd leaching of the catalyst can be effectively suppressed by alloying Fe atoms into the Pd crystal lattice for acetylene dicarbonylation. The detailed catalyst structure and morphology characterization demonstrate that introducing Fe into the Pd nanoparticles tunes the electronic–geometrical properties of the catalyst. Theoretical calculations indicate that the electrons of Fe transfer to Pd in the nano-Fe/Pd catalyst, enhancing activation of the C≡C bond in acetylene and weakening CO absorption capacity on catalyst surfaces. Alloying Fe into the Pd nanocatalyst effectively inhibits active metal leaching and improves catalyst activity and stability under high-pressure CO reactions.

The flow behaviour under the influence of susceptor moving speed is a key factor for the fabrication of high-quality cadmium telluride (CdTe) thin films during the inline metal-organic chemical vapour deposition (MOCVD) process. The main purpose of this paper is to find a method to study the real-time dynamics of transport phenomena inside the reactor. The sliding mesh method is thus proposed and its feasibility is evaluated using computational fluid dynamics (CFD) modelling. A computational grid with 173,400 hexahedral cells is adopted through a grid sensitivity test validation. The simulations show that comparing to 2D modelling, the results of 3D modelling are found to be in good agreement with the experimental data for the temperature range of 628–728 K. Based on the velocity field, the temperature field and distribution of species concentration under different sampling time intervals of 60, 180 and 300 s, the thin film uniformity on both edges of the substrate is found to be influenced by the side effect of the baffle plate. The mass deposited on the substrate is further investigated under different susceptor moving speeds from 0.75 to 2.25 cm/min, and a moving speed between 0.75 to 1.13 cm/min is found to be effectively beneficial to the deposition process.