Related papers: Halide diffusion in mixed-halide perovskites and h…
Halide perovskites have emerged as disruptive semiconductors for applications including photovoltaics and light emitting devices, with modular optoelectronic properties realisable through composition and dimensionality tuning. Layered…
Strong deviations in the finite temperature atomic structure of halide perovskites from their average geometry can have profound impacts on optoelectronic and other device-relevant properties. Detailed mechanistic understandings of these…
A key challenge for the practical application of metal halide perovskites (MHPs) is the instability of the desired perovskite phase relative to the optically non-active $\delta$ phase. To determine the phase stability, we previously…
Emission in spectral lines can provide unique information on interstellar turbulence. Doppler shifts due to supersonic motions contain information on turbulent velocity field which is otherwise difficult to measure. However, the problem of…
In the Large helical device, a change of energetic particle mode is observed as He concentration is varied in ion-ITB type experiments, having constant electron density and input heating power but with a clear increase of central ion…
Contrary to the common belief that light-induced halide ion segregation in a mixed halide al-loy occurs within the illuminated area, we find that the Br ions released by light diffuse away from the area, which generates a counter-balancing…
Layered halide perovskites have emerged as potential alternatives to three-dimensional halide perovskites due to their improved stability and larger material phase space, allowing fine-tuning of structural, electronic, and optical…
Turbulence in the ionic migration and in the microfluidic electro-hydrodynamic convection (mixing) under constant and low-frequency external electric field has been studied using distributed chaos approach and notion of effective…
Mixing iodide and bromide in halide perovskite semiconductors is an effective strategy to tune their bandgap, therefore mixed-halide perovskites hold great promise for color-tunable LEDs and tandem solar cells. However, the bandgap of…
Faster diffusion of cations along grain boundaries is reported in the literature for a variety of acceptor-doped $AB\mathrm{O}_{3}$ perovskite-type oxides. The ratio $r$ of the activation enthalpy of grain-boundary diffusion ($\Delta…
Halide perovskites are promising optoelectronic materials, but their time-dependent permanent deformation under illumination (i.e., photo-creep) is poorly understood, limiting their mechanical stability. Here we report wavelength-dependent…
Molecular dynamics and parallel-replica dynamics simulations are applied to investigate the atomic structures and diffusion processes at {\text{Al}\{111\}}\parallel{\text{Si}}\{111\} interphase boundaries constructed by simulated vapor…
Radiation induced helium bubble formation poses a major challenge to the structural integrity of materials in nuclear energy systems. In this study, we investigate defect evolution and He behavior in ZrNb nanoscale metallic multilayers with…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
We investigate the effects of heterogeneous (spatially varying) activity in a hydrodynamical model for dense bacterial suspensions, confining ourselves to experimentally realizable, simple, quenched, activity patterns. We show that the…
A method for improving the efficiency of solar cells is combining a low-bandgap semiconductor with a singlet fission material (which converts one high energy singlet into two low energy triplets following photoexcitation). Here we present a…
Lead halide perovskites (APbX$_3$) offer tunable optoelectronic properties but feature an intricate phase-stability landscape. Here we employ on-the-fly data collection and an equivariant message-passing neural-network potential to perform…
Efficient nutrient mixing is crucial for the survival of bacterial colonies and other living systems. This raises the question of whether the optimization of mixing through the emergence of active turbulent motion in bacterial swarms played…
Ionic transport in conventional ionic solids is generally considered to proceed via independent diffusion events or "hops''. This assumption leads to well-known Arrhenius expressions for transport coefficients, and is equivalent to assuming…
We study the transport properties of particles draining from a silo using imaging and direct particle tracking. The particle displacements show a universal transition from super-diffusion to normal diffusion, as a function of the distance…