Simulation And Fabrication Of Titanium Dioxide Thin Film

With the progress and development of society and economy, human beings areindulging in developing and utilizing the environment and living space excessively forthe pursuit of better material guarantee and spiritual enjoyment, resulting in resourceshortage and environmental problems. Currently, some renewable resources arereaching its red lines because of overexploitation, which is going to threaten theexistence of humans. On the one hand, the government and corresponding departmentsbegin to put up low carbon green environmental protection slogan, calling for protectingenvironment and saving resources. On the other hand, exploiting new energy and newmaterial is currently one of the most popular topics. Even developing new materials hasbeen mentioned as significant agenda by science and industry. Given that, we putforward the research of titanium dioxide, a useful semiconductor material which hasvarious merits, such as chemical stability, non-toxic, corrosion resistance, resistance towear, and antibacterial disinfection, so it becomes more and more focused by people.We used software to simulate the preparation of film. Software lammps andvisualization of VMD were used to simulate and analyze the entire film process. Weregulated the film materials preparation at the microscopic molecular level, which madeus understand the material in-depth. Not only that, the simulation could greatly reducethe experimental cost and shorten the experimental cycle. What’s more, it caneffectively guide experimental work and predict experimental results.Furthermore, this paper is base on sol-gel method with butyl acetate titanate as rawmaterial, absolute ethanol as solvent, acetic acid as complexing agent, and differentkinds of acids (concentrated sulfuric acid, nitric acid, hydrochloric acid) as catalysts.We researched the influence of different acids on the structure and performance oftitanium dioxide film prepared by dip-coating with EDS, XRD and SEM, UV-visequipment. We determined the titanium dioxide photocatalytic degradation abilitythrough testing the degradation of methyl orange.The experiment obtained the optimal mole ratio of Tetra-n-butyl Titanate: absoluteethanol: deionized water: acetic acid=1:20:5:5. The ratio of tetra-n-butyl Titanate to acid (catalyst) was1:0.5. At the same time, we got good transmittance, compactstructure and excellent photocatalytic performance film through adding different acid toadjust pH value, dip-coating, drying in the oven at100oC, and then annealing in tubularfurnace at500oC.