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Water splitting reactions through photocatalysis is an efficient and sustainable technique for the generation of green energy. The photocatalyst's ability to effect simultaneous generation of hydrogen and oxygen, along with efficiency in…
Thermal transport through liquid-solid interfaces plays an important role in many chemical and biological processes, and better understanding of liquid-solid energy transfer is expected to enable improving the efficiency of thermally driven…
The predicted formation of moire superlattices leading to confined excitonic states in heterostructures formed by stacking two lattice mismatched transition metal dichalcogenide (TMD) monolayers was recently experimentally confirmed. Such…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
Recent research and development in the mid-infrared (IR) wavelength range (2-20 um) for a variety of applications, such as trace gas monitoring, thermal imaging, and free space communications have shown tremendous and fascinating progress.…
We study energy dissipation and heating by supersonic MHD turbulence in molecular clouds using Athena, a new higher-order Godunov code. We analyze the dependence of the saturation amplitude, energy dissipation characteristics, power…
MXenes are a family of two-dimensional (2D) carbides and nitrides that display extraordinary electrical, optical, chemical, and electrochemical properties. There is a perception that MXenes are unstable and degrade quickly, limiting…
Interface interactions in 2D vertically stacked heterostructures play an important role in optoe-lectronic applications, photodetectors based on graphene/InSe heterostructures had shown promising performance nowadays. However, nonlinear…
We aim to identify the physical processes which occur in the magnetic network of the chromosphere and which contribute to its dynamics and heating. Specifically, we study the propagation of transverse (kink) MHD waves which are impulsively…
The presence of methyl alcohol or methanol (CH$_3$OH) in several astrophysical environments has been characterized by its high abundance that depends on both the production rate and the destruction rate. In the present work, the…
Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here we report quantum Monte Carlo results for the adsorption of a…
Mesoscale water-hydrophobic interfaces are of fundamental importance in multiple disciplines, but their molecular properties have remained elusive for decades due to experimental complications and alternate theoretical explanations.…
Phosphorene, a newly fabricated two-dimensional (2D) nanomaterial, have exhibited promising application prospect in biology. Nonetheless, the wetting and diffusive properties of bio-fluids on phosphorene are still elusive. In this study,…
Photoionization by high-energy photons creates nonthermal electrons with a broad range of energies that heat and chemically transform the atmospheres of planets. The specifics of the interactions are notably different when the gas is atomic…
Controlling exciton recombination in atomically thin semiconductors is central to their optoelectronic functionality, as the competition between radiative and non-radiative decay channels governs emission efficiency. Existing approaches,…
The element specificity of soft X-ray spectroscopy makes it an ideal tool for analyzing the microscopic origin of ultrafast dynamics induced by localized optical excitation in metal-insulator heterostructures. Using [Fe/MgO]$_n$ as a model…
The structure of an adsorption octadecanamide film at the planar toluene-water interface is studied by X-ray reflectometry using synchrotron radiation with photon energy of 15 keV. The electron density (polarizability) profiles, according…
Viscoelasticity and rate-dependent adhesion of soft matter lead to difficulties in modeling the 'relatively simple' problem of a rigid sphere in contact with a viscoelastic half-space. For this reason, approximations in describing surface…
In this work we study the process of energy dissipation triggered by a slow large scale motion of a magnetized conducting fluid. Our consideration is motivated by the problem of heating the solar corona, which is believed to be governed by…
We perform molecular dynamics simulations using the extended simple point charge SPC/E water model in order to investigate the dynamical behavior of supercooled-stretched water. We focus on the behavior of the translational diffusion…