Related papers: Polarization induced water molecule dissociation b…
Context. The long-term evolution of an atmosphere and the remote detectability of its chemical constituents are susceptible to how the atmospheric gas responds to stellar irradiation. The response remains poorly characterized for water and…
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…
The solvated electron represents an elementary quantum system in a liquid environment. Electrons solvated in water have raised strong interest because of their prototypical properties, their role in radiation chemistry, and their relevance…
Polar molecules in selected quantum states can be guided, decelerated, and trapped using electric fields created by microstructured electrodes on a chip. Here we explore how transitions between two of these quantum states can be induced…
The development of intense high-energy radiation sources and the improvement of techniques for detecting charged fragments have made possible experiments on multiple ionization of a molecule with registration of the momentum and charge of…
We study water between parallel metal walls under applied electric field accounting for the image effect at $T=298$ K. The electric field due to the surface charges serves to attract and orient nearby water molecules, while it tends to a…
Structural, dynamical, bonding, and electronic properties of water molecules around a soluted methane molecule are studied from first principles. The results are compatible with experiments and qualitatively support the conclusions of…
During the epoch of reionization, the formation of radiation sources is accompanied by the growth of a H- photodissociating flux. We estimate the impact of this flux on the formation of molecular hydrogen and cooling in the first galaxies,…
We report a combined experimental and theoretical study on the formation of O2+ by electronimpact double ionization and fragmentation of carbon dioxide (CO2) molecule. Through fragment ions and electron coincidence momentum imaging, we…
Monophasic MgFe$_2$O$_4$ nanoparticles synthesized by a simple autocombustion method were assessed as magnetically recoverable catalysts for the degradation of methylene blue (MB) in water. The NPs exhibit a crystallite size of $\sim$ 9 nm,…
The first-principles simulation of the electronic structure of organic semiconductors in solution poses a number of challenges that are not trivial to address simultaneously. In this work, we investigate the effects and the mutual interplay…
Electron-deficient boron clusters are identified as a fundamentally new class of oxygen evolution reaction (OER) catalysts, entirely free of transition metals. Selective sodium extraction from NaAlB14 and Na2B29 via high-pressure diffusion…
A system of Lorentz oscillators is considered to interpret of spectral lines of hydrogen atoms. The dielectric permittivity of this system, which takes into account its electric polarization, is considered. The substance is examined in the…
We consider photo ionization of an atom which, due to passing through a diffraction grating, is prepared in a multi-site state possessing a periodic space structure with alternating maxima and minima. It has been found that this process…
We report on the fragmentation of the water molecule by $1$ MeV H$^{+}$, He$^{+}$ and 650 keV N$^{+}$ ion impact. The fragment-ion energy spectra were measured by an electrostatic spectrometer at different observation angles. The obtained…
Water photodissociation in the 114 - 144 nm UV range forms excited OH which emits at mid-infrared wavelengths via highly excited rotational lines. These lines have only been detected with Spitzer in several proto-planetary disks and shocks.…
Observing changes in molecular structure requires atomic-scale {\AA}ngstrom and femtosecond spatio-temporal resolution. We use the Fourier transform (FT) variant of laser-induced electron diffraction (LIED), FT-LIED, to directly retrieve…
An electrode contact-related mechanism for the operational instability of organic electronic devices is proposed and confirmed via observation of a water-induced change in charge-injection barrier eights at the…
In$_2$O$_3$-based catalysts have shown high activity and selectivity for CO$_2$ hydrogenation to methanol, however the origin of the high performance of In$_2$O$_3$ is still unclear. To elucidate the initial steps of CO$_2$ hydrogenation…
Soft x-ray radiation from the sun is responsible for the production of high energy photoelectrons in the D and E regions of the ionosphere, where they deposit most of their ionization energy. The photoelectrons created by this process are…