First-principles density functional theory was used to investigate the electronic structure, optical properties and the origin of the near-infrared (NIR) absorption of covellite (CuS). The calculated lattice constant and optical properties are found to be in reasonable agreement with experimental and theoretical findings. The electronic structure reveals that the valence and conduction bands of covellite are determined by the Cu 3d and S 3p states. By analyzing its optical properties, we can fully understand the potential of covellite (CuS) as a NIR absorbing material. Our results show that covellite (CuS) exhibits NIR absorption due to its metal-like plasma oscillation in the NIR range. C 2016 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license
Vanadium dioxide (VO2) undergoing reversible metal-insulator phase transition could allow for the formation of an efficient thermochromic material for smart windows. However, solar radiation shielding performance is determined by transparent rutile VO2 filters, and the puzzling metal-insulator transition mechanism makes it challenging to explain the origin of the coexistence of strong near infrared absorption with high optical transparency. The band structure, the density of states, and the optical properties of rutile VO2 were calculated using the first-principles calculations. The calculated results of the structural and optical properties are in good agreement with the previously reported experimental findings. The calculated dielectric functions, electron energy-loss function and solar radiation shielding performance of the rutile VO2 filters indicate that rutile VO2 is a promising near-infrared absorption/reflectance material with the near-infrared radiation insulating abilities and a visible light transmittance. These properties arise from plasma oscillation and a collective oscillation (volume plasmons) of carrier electrons.
Microwave alkaline roasting-water dissolving process was proposed to improve the germanium (Ge) extraction from zinc oxide (ZnO) dust. The effects of important parameters were investigated and the process conditions were optimized using response surface methodology (RSM). The Ge extraction is consistent with the linear polynomial model type. Alkali-material ratio, microwave heating temperature and leaching temperature are the significant factors for this process. The optimized conditions are obtained as follows, alkali-material ratio of 0.9 kg/kg, aging time of 1.12 day, microwave heating at 658 K for 10 min, liquid–solid ratio of 4.31 L/kg, leaching temperature at 330 K, leaching time of 47 min with the Ge extraction about 99.38%. It is in consistence with the predictive value of 99.31%. Compared to the existed alkaline roasting process heated by electric furnace in literature, the alkaline roasting temperature and holding time. It shows a good prospect on leaching Ge from ZnO dust with microwave alkaline roasting-water dissolving process.
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