Active quasi-BIC metasurfaces assisted by epsilon-near-zero materials.

Active devices play a critical role in modern electromagnetic and photonics systems. To date, the epsilon (ε)-near-zero (ENZ) is usually integrated with the low Q-factor resonant metasurface to achieve active devices, and enhance the light-matter interaction significantly at the nanoscale. However, the low Q-factor resonance may limit the optical modulation. Less work has been focused on the optical modulation in the low-loss and high Q-factor metasurfaces. Recently, the emerging optical bound states in the continuum (BICs) provides an effective way for achieving high Q-factor resonators. In this work, we numerically demonstrate a tunable quasi-BICs (QBICs) by integrating a silicon metasurface with ENZ ITO thin film. Such a metasurface is composed of five square holes in a unit cell, and hosts multiple BICs by engineering the position of centre hole. We also reveal the nature of these QBICs by performing multipole decomposition and calculating near field distribution. Thanks to the large tunability of ITO's permittivity by external bias and high-Q factor enabled by QBICs, we demonstrate an active control on the resonant peak position and intensity of transmission spectrum by integrating ENZ ITO thin films with QBICs supported by silicon metasurfaces. We find that all QBICs show excellent performance on modulating the optical response of such a hybrid structure. The modulation depth can be up to 14.8 dB. We also investigate how the carrier density of ITO film influence the near-field trapping and far-field scattering, which in turn influence the performance of optical modulation based on this structure. Our results may find promising applications in developing active high-performance optical devices.

Thermal decomposition mechanisms of poly(vinyl chloride): A computational study.

The studies on the pyrolysis mechanisms of waste PVC contribute to development and application of pyrolysis technology for mixed waste plastics. In the article, the thermal decomposition mechanisms of model compound of poly(vinyl chloride) (PVC) have been investigated by employing density functional theory methods at M06-2X/6-31++G(d,p) level in order to illuminate the elimination of HCl and the formation of hydrocarbons. Various possible pyrolysis paths for the formation of main products were proposed, and the thermodynamic and kinetic parameters in every path were calculated. The calculation results show that the HCl elimination can occur through the concerted reaction and the energy barrier of HCl elimination changes from 167.4 to 243.3 kJ/mol; allyl group can obviously reduce the activation energy of HCl elimination, and the branched-chain can lower the energy barrier of HCl elimination at the carbon sites near the branch chain; a free radical is more easily converted into aromatic compound through a series of isomerizations, cyclization and dehydrogenation; the conjugated polyene could be decomposed in parallel reaction channels: one is the evolution of aromatics, another is the formation of small molecule products. The above analysis is consistent with previous experimental results and analysis.