[18a-E205-1~9] 3.2 Equipment optics and materials

[18a-E205-6] First-principles calculations of Cs desorption from Cs_0.33WO₃

〇satoshi yoshio¹, Kenji Adachi¹, Momoji Kubo² (1.SumitomoMetalMining, 2.IMR, Tohoku Univ.)

Keywords:optical properties, first-principles molecular dynamics

Cesium-doped tungsten bronze nanoparticles Cs_xWO₃ (CWO) is a material that achieves both visible light transmission and near-infrared absorption, and is applied to near-infrared shielding materials such as window glass for buildings and automobiles. However, they tend to bleach in hot and humid environments. Suppressing the environmental degradation of CWO and stabilizing its optical properties are very important issues both academically and industrially.
However, since the degradation behavior of CWO is not yet fully understood, a detailed investigation is necessary. Therefore, we investigated microscopically the decoloring degradation behavior of CWO, and tried to elucidate the degradation reaction mechanism by first-principles molecular dynamics calculations.