Related papers: Diffusion-Controlled Anion Conversion into Dense P…
Hydroxide ion transport and structure in aqueous media is fundamental to many chemical and biological processes. Research on hydroxide behavior has primarily focused on a single fully solvated hydroxide, either as an isolated cluster or in…
The transfer of electrons between a solid surface and adsorbed atomic or molecular species is fundamental in natural and synthetic processes, being at the heart of most catalytic reactions and many sensors. In special cases, metallic…
While hydrogen-rich materials have been demonstrated to exhibit high T$_c$ superconductivity at high pressures, there is an ongoing search for ternary and quaternary hydrides that achieve such high critical temperatures at much lower…
Hydrogen is the simplest bipolar element and its valence state can be controlled from +1 to -1. We synthesized the 1111-type CaFeAsH and LnFeAsO1-xHx (Ln = lanthanide) with the ZrCuSiAs type structure by a high-pressure synthesis method.…
Polyhydrides have been shown to form novel structures at high pressure, which may be found in the interiors of giant planets. With density functional molecular dynamics simulations we studied the behavior of ammonium polyhydride compounds…
Reducing the stabilization pressure of superhydrides represents one of the most important challenges in hydrogen-saturated compound chemistry. Moving in this direction, we studied the Ba-Si-H system at 0-142 GPa using transport…
Perovskite oxynitrides have recently attracted attention for their ability to photocatalytically split water. Compared to oxides the arrangement of anions in the material represents a further structural degree of freedom. The bulk…
The electronic properties of transition-metal oxides with highly correlated electrons are of central importance in modern condensed matter physics and chemistry, both for their fundamental scientific interest, and for their potential for…
High-purity and homogeneous YBa2Cu3Oy single crystals with carrier doping level near the AFM-SC boundary have been obtained in the oxygen content range between y = 6.340 and 6.370. The crystals are ortho-II phase at room temperature and…
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…
The control of the crystalline phases of the nanoparticles grown in a direct-current transferred-arc plasma-assisted reactor is reported. The crystalline phases of the as synthesized nanoparticles are shown to critically depend on the…
High-pressure metal superhydrides have attracted intense scientific interest due to their remarkable superconducting properties. While superconductivity is known to be sensitive to material composition, compositional variability is often…
Inspired by the synthesis of XB3C3 (X= Sr, La) compounds in the bipartite sodalite clathrate structure, density functional theory (DFT) calculations are performed on members of this family containing up to two different metal atoms. A…
Antimonene, a new group-VA 2D semiconducting material beyond phosphorene, was recently synthesized through various approaches and was shown to exhibit a good structural integrity in ambient conditions and various interesting properties. In…
Developing novel protocols for hydrogen (H) loading is crucial for furthering the investigation of hydrides as potential high-temperature superconductors at lower pressures compared to recent discoveries. Ionic gating-induced protonation…
The reported diffusion constants for hydrogen in silicon vary over six orders of magnitude. This spread in measured values is caused by the different concentrations of defects in the silicon that has been studied. Hydrogen diffusion is…
The evaporation of particle-laden droplets on engineered surfaces underpins a wide range of technologies, from printed electronics to biosensing. While the influence of substrate topography on passive particle deposition is well…
Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. The mechanistic connections between material processing, defect chemistry, transport dynamics, and practical performance are of considerable…
Existing remote sensing image compression methods still explore to balance high compression efficiency with the preservation of fine details and task-relevant information. Meanwhile, high-resolution drone imagery offers valuable structural…
Ion channels selectively transport ions, yet the underlying mechanisms remain elusive. We propose a physical model based on the Driven Damped Harmonic Oscillator (DDHO), where self-organizing turbulent structures in the ionic flow generate…