Abstract:Nanoscale tungsten oxide, as a functional semiconductor with unique physical and chemical properties, is widely used in environment, energy, life science, information technology fields. Based on the application of first-principles study in nanoscale tungsten oxide, the functions of theory calculations are reviewed in the paper. Firstly, the development and basic theory of the first principles and density functional theory are illustrated based on quantum mechanics. Then, the commonly related software in such f… Show more
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