相关论文: Subsurface hydrogen storage controlled by small-sc…
Hydrogen is a promising energy carrier that can push forward the energy transition because of its high energy density (142 MJ kg-1), variety of potential sources, low weight and low environmental impact, but its storage for automotive…
Hydrogen can be stored in containers or in materials. In materials it can exist in molecular or atomic forms. The atomic form can further exist as multiple phases. Molecular hydrogen can be adsorbed on the surface or can be present inside…
The kinetics of hydrogen diffusion in C15 cubic and C14 hexagonal TiCr$_2$H$_x$ (0 < $x$ <= 4) Laves-phase hydrogen storage alloys is investigated with density functional theory (DFT) and machine learning interatomic potentials (MLIPs).…
We consider the hydrodynamic effect of small particles on the dynamics of a much larger particle moving normal to a planar wall in a highly bidisperse dilute colloidal suspension of spheres. The gap $h_0$ between the large particle and the…
Providing a sound appraisal of the nature of the relationship between flow $(Q)$ and pressure drop $(\Delta P)$ for porous media is a long-standing fundamental research challenge. A wide variety of environmental, societal and industrial…
Porous electrodes are found in energy storage devices such as supercapacitors and pseudocapacitors. However, the effect of electrode-pore-size distribution over their energy storage properties remains unclear. Here, we develop a model for…
The ability of atomic hydrogen to chemisorb on graphene makes the latter a promising material for hydrogen storage. Based on scanning tunneling microscopy techniques, we report on site-selective adsorption of atomic hydrogen on convexly…
The amount of surface water is thought to be critical for a planet's climate stability and thus habitability. However, the probability that a rocky planet may exhibit surface water at any point its evolution is dependent on multiple…
Developing solid-state hydrogen storage materials is as pressing as ever, which requires a comprehensive understanding of the dehydrogenation chemistry of a solid-state hydride. Transition state search and kinetics calculations are…
Aims. Interstellar dust grains, because of their catalytic properties, are crucial to the formation of H2, the most abundant molecule in the Universe. The formation of molecular hydrogen strongly depends on the ability of H atoms to stick…
The collective motion of microswimmers in suspensions induce patterns of vortices on scales that are much larger than the characteristic size of a microswimmer, attaining a state called bacterial turbulence. Hydrodynamic turbulence acts on…
Carbon mineralization in basaltic rocks may offer rapid, permanent \ce{CO2} storage, yet fundamental controls on reactive transport and precipitation patterns remain poorly understood. This study integrates flow-through experiments at…
The microstructure of coagulated colloidal particles, for which the inter-particle potential is described by the DLVO theory, is strongly influenced by the particles' surface potential. Depending on its value, the resulting microstructures…
We study a heuristic, core-scale model for the transport of polymer particles in a two phase (oil and water) porous medium. We are motivated by recent experimental observations which report increased oil recovery when polymers are injected…
With the aim to parallelize and monitor biological or biochemical phenomena, trapping and immobilization of objects such as particles, droplets or cells in microfluidic devices has been an intense area of research and engineering so far.…
Ion hydrations are ubiquitous in natural and fundamental processes. A quantitative analysis of a novel CO2 sorbent driven by ion hydrations was presented by molecular dynamics (MD). We explored the humidity effect on the diffusion and…
The simultaneous presence of liquid and gas in porous media increases flow heterogeneity compared to saturated flows. However, so far the impact of saturation on flow statistics and transport dynamics remained unclear. Here, we develop a…
The effect of solute hydrogen on the stability of vacancy clusters in hexagonal closed packed zirconium is investigated with an ab initio approach, including contributions of H vibrations. Atomistic simulations within the density functional…
Understanding the sodium-storage mechanism in hard carbon (HC) anodes is crucial for advancing sodium-ion battery (SIB) technology. However, the intrinsic complexity of HC microstructures and their interactions with sodium remain not fully…
A hydrophobic constriction site can act as an efficient barrier to ion and water permeation if its diameter is less than the diameter of an ion's first hydration shell. This hydrophobic gating mechanism is thought to operate in a number of…