Conduction Band and Defect Engineering for the Prominent Visible-Light Responsive Photocatalysts.

Controlling trap depth is crucial to improve photocatalytic activity, but designing such crystal structures has been challenging. In this study, we discovered that in 2D materials like BiOCl and Bi4NbO8Cl, composed of interleaved [Bi2O2]2+ and Cl- slabs, the trap depth can be controlled by manipulating the slab stacking structure. In BiOCl, oxygen vacancies (VO) create deep electron traps, while chlorine vacancies (VCl) produce shallow traps.

Perceptions and Prevalence of Anxiolytic Medication Usage for Performance Enhancement Among Musicians.

Objective: While anecdotal reports of the use of performance-enhancing medications to curb anxiety in performing artists abound, there has been no research to date assessing the prevalence of usage and attitudes towards use amongst the artists themselves. The objective of this study was to evaluate the perceptions, acquisition, and use of potentially performance-enhancing medications (benzodiazepines, beta-blockers, and cannabinoids) in the performing artist community to clarify the use of these medications to improve patient counseling and patient safety.

Design: Cross-sectional survey.

Emerging computational and machine learning methodologies for proton-conducting oxides: materials discovery and fundamental understanding.

This review presents computational and machine learning methodologies developed during a 5-year research project on proton-conducting oxides. The main goal was to develop methodologies that could assist in materials discovery or provide new insights into complex proton-conducting oxides. Through these methodologies, three new proton-conducting oxides, including both perovskite and non-perovskites, have been discovered.

Supra-ceramics: a molecule-driven frontier of inorganic materials.

Discoveries and technological innovations over the past decade are transforming our understanding of the properties of ceramics, such as 'hard', 'brittle', and 'homogeneous'. For example, inorganic crystals containing molecular anions exhibit excellent secondary battery characteristics, and the fusion of inorganic solids and molecules results in innovative catalytic functions and physical properties. Different from the conventional ceramics such as metal oxides that are formed by monatomic cations and anions, unique properties and functions can be expected in molecular-incorporated inorganic solids, due to the asymmetric and dynamic properties brought about by the constituent molecular units.

First-principles calculations of proton defect properties in Ca-doped YPO.

YPO has a xenotime-type structure with one-dimensional percolating channels along the -axis, and Ca-doped YPO exhibits proton conduction. In the present study, using first-principles calculations, we investigate the behaviors of proton solutions in 3 mol% Ca-doped YPO in the intermediate temperature range on the basis of point-defect formation energies, defect concentrations, and migration barriers. Although the charge-neutrality condition is mainly satisfied by and defects within the defect formation energy diagrams, the defect complex has the lowest formation energy and the highest concentration among examined defects under various temperature and partial-pressure conditions.