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Often gaining insight into the functioning of biomolecular systems requires to follow their dynamics along a microscopic reaction coordinate (RC) on a macroscopic time scale, which is beyond the reach of current all atom molecular dynamics…
Exploring the impact of alcohol additives on combustion and pyrolysis of ammonia/methane is of great importance in the pursuit of sustainable energy technologies. This work employs Reactive Force Field (ReaxFF) molecular dynamics (MD)…
The life cycle of most marine invertebrates includes a planktonic larval stage before metamorphosis to bottom-dwelling adulthood. During larval stage, ciliary-mediated activity enables feeding (capture unicellular algae) and transport of…
A new class of high-performance pyrrolidinium cation based ionanofluid electrolytes with higher lithium salt concentration are developed. The electrolytes are formed by dispersing imidazolium ionic liquid functionalized TiO2 nanoparticles…
All cells must sustain ionic motive forces (IMFs) -- the electrochemical gradients of permeant ions, together with the membrane potential they produce -- to regulate intracellular pH, drive secondary transport, and power ATP synthesis.…
Radio and X-ray emission from brown dwarfs suggest that an ionised gas and a magnetic field with a sufficient flux density must be present. We perform a reference study for late M-dwarfs, brown dwarfs and giant gas planet to identify which…
Protonic ceramic fuel cells can be operated at low temperatures, but their performances relying on bulk ion transfer in solid electrolytes are usually limited by much lower proton conductivity than 0.1 S/cm below 600 {\deg}C. Herein,…
Gas-phase abundance ratios between \ce{C2H4O2} isomers methyl formate (MF), glycolaldehyde (GA), and acetic acid (AA) are typically on the order of 100:10:1 in star-forming regions. However, an unexplained divergence from this neat…
Filament channel (FC), a plasma volume where the magnetic field is primarily aligned with the polarity inversion line, is believed to be the pre-eruptive configuration of coronal mass ejections. Nevertheless, evidence for how the FC is…
We developed two-step solution-phase reactions to form hybrid materials of Mn3O4 nanoparticles on reduced graphene oxide (RGO) sheets for lithium ion battery applications. Mn3O4 nanoparticles grown selectively on RGO sheets over free…
MnxOy coated over TiO2 nanotube array substrate was doped with Mo and polyaniline (PANI) and applied for electrochemical desulfurization of concentrated sulfide (HS) solutions at basic pH, typical of biogas scrubbing solutions and…
Many isolated, old white dwarfs (WDs) show surprising evidence of metals in their photospheres. Given that the timescale for gravitational sedimentation is astronomically short, this is taken as evidence for ongoing accretion, likely of…
In this work, a force field for several ions in water is proposed. In particular, we consider the cations Li$^+$ , Na$^+$ , K$^+$, Mg$^{2+}$, Ca$^{2+}$ and the anions Cl$^-$, and SO$_4^{2-}$ . These ions were selected as they appear in the…
An effective method for increasing the electrocatalytic activity of metallic glasses (MGs) in hydrogen evolution reaction (HER) is reported. This method applies a noble metal hybridization strategy to design a highly reactive catalyst for…
Theoretical calculations of the mixed aggregation/coalescence (kFC) rate corresponding to a set of hexadecane-in-water nano-emulsions stabilized with sodium dodecyl sulphate (SDS) at different NaCl concentrations are presented. The rates…
High-efficiency organic photocathodes, based on regioregular poly(3-hexylthiophene) and phenyl-C61-butyric acid methyl ester (rr-P3HT:PCBM) bulk heterojunction sandwiched between charge-selective layers, are emerging as efficient and…
Enceladus offers our best opportunity for exploring the chemistry of an ocean on another world. Here, we perform geochemical modeling to show how the distribution of phosphate species found in ice grains from Enceladus's plume provides a…
Methanol occupies a central role in chemical synthesis and is considered an ideal candidate for cleaner fuel storage and transportation. It can be catalyzed from water and volatile organic compounds such as carbon dioxide, thereby offering…
We report on a systematic characterization of microbulk Micromegas readouts in high-pressure Ar+1%iC4H10 and Ne+2%iC4H10 mixtures. Experimental data on gain, electron transmission and energy resolution are presented for a wide range of…
Fluorobenzene, or 1,4-difluorobenzene or hexafluorobenzene + alkane mixtures and hexafluorobenzene + benzene, or + toluene, or + 1,4-dimethylbenzene systems have been studied using thermodynamic properties from the literature and through…