Atmospheric pressure helium plasmas are investigated employing molecular dynamics simulations at room temperature (300 K) for various ionization fractions ($χ_i = 10^{-1} - 10^{-5}$) in the strongly coupled regime (ion coupling parameter, $Γ_i \sim 1 - 10$). The role of electron screening in ion dynamics and energetics is examined through ion and g...
Disordered rocksalt cathodes exhibit high specific capacities and high energy density; however, their low electronic conductivity poses a great challenge. Herein, we explored an aqueous-solution-based synthesis route that involves controlling the surface charges of Li1.2Mn0.6Ti0.2O1.8F0.2 (LMTOF) to be anchored by a few-layer reduced graphene oxide...
We present a new software module, QRCODE (Quantum Research for Calculating Optically Driven Excitations), for massively parallelized real-time time-dependent density functional theory (RT-TDDFT) calculations of periodic systems in the open-source Qbox software package. Our approach utilizes a custom implementation of a fast Fourier transformation s...
The spectral content of macroscopic neural activity evolves throughout development, yet how this maturation relates to underlying brain network formation and dynamics remains unknown. Here, we assess the developmental maturation of electroencephalogram spectra via Bayesian model inversion of the spectral graph model, a parsimonious whole-brain mode...
During host infection, Toxoplasma gondii and related unicellular parasites move using gliding, which differs fundamentally from other known mechanisms of eukaryotic cell motility. Gliding is thought to be powered by a thin layer of flowing filamentous (F)-actin sandwiched between the plasma membrane and a myosin-covered inner membrane complex. How ...
Since the initial discovery of 2D van der Waals (vdW) materials, significant effort has been made to incorporate the three properties of magnetism, band structure topology, and strong electron correlations-to leverage emergent quantum phenomena and expand their potential applications. However, the discovery of a single vdW material that intrinsical...
Phenolic compounds, which are significant emissions from biomass burning (BB), undergo rapid photochemical reactions in both gas and aqueous phases to form secondary organic aerosol, namely, gasSOA and aqSOA, respectively. The formation of gasSOA and aqSOA involves different reaction mechanisms, leading to different product distributions. In this s...
This work determines a new set of EUV/x-ray optical constants for aluminum (Al), one of the most important materials in science and technology. Absolute photoabsorption (transmittance) measurements in the 17-1300 eV spectral range were performed on freestanding Al films protected by carbon (C) layers, to prevent oxidation. The dispersive portion of...
Iridium oxide (IrO2) is recognized as a state-of-art catalyst for anodes of low-temperature polymer-electrolyte membrane water electrolyzers (PEMWE), one of the promising clean energy technologies to produce hydrogen, a critical energy carrier for decarbonization. However, typical IrO2 ink formulations are challenging to process in liquid-film coat...
