Related papers: Decoupled Water Splitting: From Basic Science to A…
Phase separation of binary fluids quenched by contact with cold external walls is considered. Navier-Stokes, convection-diffusion, and energy equations are solved by lattice Boltzmann method coupled with finite-difference schemes. At high…
In this work, using the state-of-the-art first principles calculations based on density functional theory, we found that the concentration as well as coordination of surface oxygen vacancies with respect to each other were critical for…
Partitioning of (bio)materials in polymeric mixtures is a key phenomenon both in cellular environments, as well as in industrial applications. In cells, several macromolecules are suspended within different biomolecular phases. On the other…
Clean hydrogen production through efficient and cost-effective electrochemical water splitting is highly promising to meeting future global energy demands. The design of Earth-abundant materials with both high activity for hydrogen…
The hydrodynamic formulation of quantum mechanics is used to elucidate the mechanism for decoherence, the suppression of interference effects in a system evolving from an initial coherent superposition. Analysis of time-dependent trajectory…
The rapid adhesion of motile bacteria from dilute suspensions poses a fundamental non-equilibrium problem: hydrodynamic interactions bias bacterial motion near surfaces without generating stable confinement, while electrostatic interactions…
Atmospheric water harvesting is urgently needed given increasing global water scarcity. Current sorbent-based devices that cycle between water capture and release have low harvesting rates. We envision a radically different multi-material…
Hydrogen is key in reducing greenhouse gas emissions in materials production. At the same time, it significantly affects mechanical properties, often causing unwanted embrittlement. However, rather than solely addressing these…
Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a…
We study the dynamics of water confined between hydrophobic flat surfaces at low temperature. At different pressures, we observe different behaviors that we understand in terms of the hydrogen bonds dynamics. At high pressure, the formation…
Hydrogen fuel is an ideal energy source to replace the traditional fossil fuels because of its high energy density and renewability. Electrochemical water splitting is also regarded as a sustainable, cleaning and eco-friendly method for…
The fabrication of functional micro- and nano-electronic devices requires the deposition of high-quality materials of different electronic material classes, such as conductors, semiconductors and insulators. To establish…
Dynamical decoupling can be used to preserve arbitrary quantum states despite undesired interactions with the environment, using control Hamiltonians affecting the system only. We present a system-independent analysis of dynamical…
Paired electrolysis at industrial current densities offers an energy-efficient and sustainable alternative to thermocatalytic chemical synthesis by leveraging anodic and cathodic valorization. However, its industrial feasibility remains…
In the modern world, the focus of natural science research thought has shifted mainly to the molecular level, including the study of water. Water is considered as a mixture of interacting H2O molecules and their clusters based on the data…
In addition to the traditional two-level system, the three-level system serves as another important elemental building block for the manipulation of qubits. However, the quantum information processing in the three-level system is also…
We numerically investigate the competition between phase separation and dynamical arrest in a colloidal system interacting via a short ranged attractive potential. Equilibrium fluid configurations are quenched at two different temperatures…
The dynamics for molecule formation, relaxation, diffusion, and desorption on amorphous solid water is studied in a quantitative fashion. We aim at characterizing, at a quantitative level, the formation probability, stabilization, energy…
We consider the coupled system of equations that describe flow in fractured porous media. To describe such types of problems, multicontinuum and multiscale approaches are used. Because in multicontinuum models, the permeability of each…
Numerical simulation of compressible fluid flows is performed using the Euler equations. They include the scalar advection equation for the density, the vector advection equation for the velocity and a given pressure dependence on the…