Strain engineering and photocatalytic application of single-layer ReS2_2

We present a theoretical study on the electronic, dynamical, and photocatalytic properties of single-layer ReS$_2$ under uniaxial and shear strains. The single-layer ReS$_2$ shows strong anisotropic responses to straining. It remains dynamically stable for a wide range of $x$-axial strain, but becomes unstable for 2\% $y$-axial compressive strain. The single-layer ReS$_2$ is calculated to be an indirect bandgap semiconductor, and there is an indirect$-$direct bandgap transition under 1$-$5\% $x$-axial tensile straining. The single-layer ReS$_2$ is predicted incapable of catalyzing the water oxidation reaction. However, 1$-$5\% $y$-axial tensile strain can enable the single-layer ReS$_2$ for overall photocatalytic water splitting. Besides, the single-layer ReS$_2$ can also catalyze the overall water splitting and be most efficient under acidic water solutions with pH=3.8

Scalability of Hydrodynamic Simulations

Many hydrodynamic processes can be studied in a way that is scalable over a vastly relevant physical parameter space. We systematically examine this scalability, which has so far only briefly discussed in astrophysical literature. We show how the scalability is limited by various constraints imposed by physical processes and initial conditions. Using supernova remnants in different environments and evolutionary phases as application examples, we demonstrate the use of the scaling as a powerful tool to explore the interdependence among relevant parameters, based on a minimum set of simulations. In particular, we devise a scaling scheme that can be used to adaptively generate numerous seed remnants and plant them into 3D hydrodynamic simulations of the supernova-dominated interstellar medium.Comment: 12 pages, 1 figure, submitted to MNRAS; comments are welcom