Recent decades have witnessed significant progress in halide perovskites, a rising star in emerging optoelectronic technology. Their development appeared to have reached a ceiling, and few breakthroughs in novel properties were emerging. But there is an exception: high-pressure techniques, which offer a promising way to synthesize new halide perovskites and change the properties of the existing perovskites. This review article provides an overview of research advances in high-pressure technologies for the development of halide perovskites. It starts with an introduction to apparatus for creating high pressures. Then, the synthesis of halide perovskites is discussed to show the effects of high pressures on their composition, morphology, etc. Then, high-pressure-driven modification of halide perovskites is reviewed, including their crystal structure, bandgap, quantum yield and ionic movement. Although plenty of achievements have been made in this field, challenges still remain, such as exploring new halide perovskites and stabilization of the high-pressure phase under ambient conditions.
Structural stability, sound velocities, elasticity, and thermodynamic properties of cubic Zr0.5Nb0.5 alloy have been investigated at high pressure and high temperature by first-principles density functional calculations combined with the quasi-harmonic Debye model. A pronounced pressure-induced shear wave velocity stiffening in Zr0.5Nb0.5 alloy is observed at pressures above ~11 GPa, owing to its structural instability under high pressure, whose anomalous behavior is also observed in the end members of Zr-Nb alloys for Zr at ~13 GPa and for Nb at ~6 GPa upon compression, respectively. In addition, high-pressure elasticity and elastic-correlated properties of cubic Zr0.5Nb0.5 are reported, as compared with previous studies on Zr-Nb alloys with different compositions. A comprehensive study of the thermodynamic properties of cubic Zr0.5Nb0.5, such as heat capacity (Cv), thermal expansion coefficients (α), and Debye temperature (ΘD), are also predicted at pressures and temperatures up to 30 GPa and 1500 K using the quasi-harmonic Debye model.
Ion evaporation from a conductive meniscus has been of significant interest in the theoretical investigation of electro-hydrodynamics and application exploration across various fields. This study focuses on developing a fluid-fluid methodology for the dynamical simulation of a conductive meniscus undergoing ion evaporation and uncovering the interaction between the plume and meniscus using the ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate as a case study. In the fluid-fluid model, we propose a simplified fluid plume model to acquire the charge distribution in free space, and validate it against a particle plume model and a full fluid plume model. The meniscus evolution is described by expanding the leaky dielectric model to account for charge conservation in the liquid as well as self-heating and inhomogeneous physical properties. The arbitrary Lagrangian–Eulerian method is used to track the sharp liquid–vacuum interface. Dynamic simulation with the simplified fluid plume model is more than 150 times faster than that with the full fluid plume model. The electrohydrodynamic process of the meniscus evolving to form a droplet is analyzed, with a detailed discussion on the space charge effect caused by evaporated ions. Results indicate that neglecting the space charge effect during conical meniscus formation leads to a singular meniscus tip. Instead, the reverse electric field induced by the space charge suppresses this singularity, assisting the conical meniscus to produce a jet. Additionally, the high-throughput ion evaporation significantly enlarges the diameter of droplet formed on the conical meniscus due to the reverse electric field of space charge.
A Lagrangian method is presented for solving linear perturbations of elastic solids in cylindrical and spherical geometry. The model consists of one-dimensional base equations and linearly perturbed modal component equations, and the elasticity constitutive equations and its linearized form are considered. The component equations based on perturbation expansions are described uniformly under different geometries and perturbation assumptions. In the numerical format of a linearly perturbed system, the radial and transverse numerical fluxes based on the Godunov discretization format use the same Riemann solver to ensure the consistency of the numerical scheme, and the time-step constraint scheme is empirical. Based on this method, this paper investigates the Rayleigh–Taylor instability at the interface of elastic solids in cylindrical and spherical geometries, analyzes the differences between the initial and asymptotic phases of perturbation development, and compares it with the two-dimensional theory. Furthermore, we point out the effects of pseudo-three-dimensional perturbations and finite thickness, which cannot be ignored.
Lithium cobalt oxide (LiCoO2) is a widely used cathode material whose mechanical behavior under pressure is increasingly relevant to cell manufacturing and extreme-environment applications. Yet a coordinated understanding of how hydrostatic pressure simultaneously affects its structural, elastic, and vibrational properties has been lacking. Here, we employ first-principles DFT-GGA-PBE calculations to investigate the structure, elastic constants and moduli, and phonon band structure of LiCoO2 under hydrostatic pressure from 0 to 50 GPa. The in-plane and interlayer lattice parameters contract anisotropically, with the c-axis showing greater compliance; our computed evolution reproduces the experimentally observed decreasing trend, lying systematically ∼2% below the convergent experimental datasets over the experimentally covered pressure range, with the deviation narrowing toward the highest experimentally covered pressures. All six independent pressure-corrected elastic constants increase monotonically and satisfy the Born stability criteria over the full pressure range. The polycrystalline bulk modulus more than doubles from 0 to 50 GPa, while the Young’s and shear moduli increase by 27–37%, with zero-pressure values ( GPa, GPa, GPa) in good agreement with pulse–echo and nanoindentation measurements. Phonon frequencies exhibit a systematic blueshift, with the highest-frequency optical modes hardening at an average rate of 0.102 THz/GPa, and remain real across the entire Brillouin zone, confirming the dynamical stability of the phase. The correlated hardening of elastic moduli and phonon frequencies is consistent with pressure-induced bond shortening and the associated strengthening of the interatomic interactions, as evidenced by the monotonic contraction of the Co–O and Li–O bonds (by 4.1% and 9.7%, respectively, over the full pressure range). These results provide a quantitative benchmark for the mechanical behavior of layered oxide cathodes under pressure and offer a reference for related materials.