Abstract
Vanadium dioxide (VO2) has already been widely concerned as a thermochromic smart window material. However, the Achilles heel of VO2 is susceptible to degradation by water and oxygen in the air, which has limited its commercialization. Until now, it has remained unclear what effect water has on the deterioration of VO2, hindering the solution to this dilemma. In this work, the degradation mechanism of VO2 during natural aging was proposed based on density functional theory (DFT) calculation and experimental analysis, and the role of water in the degradation process was discussed in detail. The results showed that water affects the deterioration reaction by influencing the adsorption behavior of oxygen on the VO2 surface, destroying the dense structure, and participating in the reaction in the form of combined water. This work fills the degradation mechanism gap of VO2, helps to design high-performance structures of VO2-based smart coatings, and provides theoretical guidance to solve the problem of VO2 weatherability.
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