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We present the experimental demonstration of a subpicosecond all-optical THz switch based on three-dimensional (3D) terahertz meta-atoms. Combining a special design of 3D meta-devices and the ultrafast dynamics of low temperature grown gallium arsenide, we can modulate the reflectance of the THz microcavities within 2.2 ps. The device enables a 280 GHz switch in resonance frequency within less than 200 fs. The switch back to the original resonance takes 800 fs. Experimental results show that the speed values are strongly convoluted by the THz probing field and, thus, the real switching times are even shorter, in the few 100 fs range.

Aerosols and droplets from expiratory events play an integral role in transmitting pathogens such as SARS-CoV-2 from an infected individual to a susceptible host. However, there remain significant uncertainties in our understanding of the aerosol droplet microphysics occurring during drying and sedimentation and the effect on the sedimentation outcomes. Here, we apply a new treatment for the microphysical behavior of respiratory fluid droplets to a droplet evaporation/sedimentation model and assess the impact on sedimentation distance, time scale, and particle phase. Above a 100 μm initial diameter, the sedimentation outcome for a respiratory droplet is insensitive to composition and ambient conditions. Below 100 μm, and particularly below 80 μm, the increased settling time allows the exact nature of the evaporation process to play a significant role in influencing the sedimentation outcome. For this size range, an incorrect treatment of the droplet composition, or imprecise use of RH or temperature, can lead to large discrepancies in sedimentation distance (with representative values >1 m, >2 m, and >2 m, respectively). Additionally, a respiratory droplet is likely to undergo a phase change prior to sedimenting if initially, Accurate, experimentally derived microphysical treatments of respiratory fluid droplets enable the robust modeling of sedimentation outcomes.

Approximate, semilocal density functional theory (DFT) suffers from delocalization error that can lead to a paradoxical model of catalytic surfaces that both overbind adsorbates yet are also too stable. We investigate the effect of two widely applied approaches for delocalization error correction, (i) affordable DFT+U (i.e., semilocal DFT augmented with a Hubbard U) and (ii) hybrid functionals with an admixture of Hartree-Fock (HF) exchange, on surface and adsorbate energies across a range of rutile transition metal oxides widely studied for their promise as water-splitting catalysts. We observe strongly row- A nd period-dependent trends with DFT+U, which increases surface formation energies only in early transition metals (e.g., Ti and V) and decreases adsorbate energies only in later transition metals (e.g., Ir and Pt). Both global and local hybrids destabilize surfaces and reduce adsorbate binding across the periodic table, in agreement with higher-level reference calculations. Density analysis reveals why hybrid functionals correct both quantities, whereas DFT+U does not. We recommend local, range-separated hybrids for the accurate modeling of catalysis in transition metal oxides at only a modest increase in computational cost over semilocal DFT.

The formation energies of oxygen vacancies at different surface and subsurface sites of anatase (101), anatase (001), and rutile (110) surfaces are calculated by the screened-exchange (sX) hybrid functional method. Our results show that the oxygen vacancy is more stable on the surface than subsurface for rutile (110), while it is a more stable subsurface than on the surface for anatase surfaces. These results are similar to those found by simple density functional theory, but now the sX hybrid functional gives the correct defect localizations. The defects introduce a gap state near the conduction band edge. For the most stable oxygen vacancy site at each TiO2 surface, the +2 charge state dominates over a wide range of Fermi energies.