Related papers: Decomposition of formic acid
CoFe2O4/Co-Fe magnetic composites are usually prepared through partial reduction of CoFe2O4, which often yields monoxides (i.e., FeO, CoO) as secondary phases. Since these compounds are paramagnetic at ambient conditions, the presence of a…
Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…
Laser cooling and trapping are central to modern atomic physics. The workhorse technique in cold-atom physics is the magneto-optical trap (MOT), which combines laser cooling with a restoring force from radiation pressure. For a variety of…
Liquid crystal materials exhibiting up to three nematic phases are reported. Dielectric response measurements show that while the lower temperature nematic phase has ferroelectric order and the highest temperature nematic phase is apolar,…
The Zr-based MAX phases have attracted considerable attention for their outstanding irradiation behavior and high neutron transparency relevant to nuclear power generation technologies. In spite of increased understanding of physical…
Acid ionization in aprotic media is studied using Molecular Dynamics techniques. In particular, models for HCl ionization in acetonitrile and dimethylsulfoxide are investigated. The proton is treated quantum mechanically using Feynman path…
In this paper, oxidation of Cu during physical sputtering deposition in a high purity and low pressure Ar atmosphere without introducing O2 gas flow was studied systemically. It was found that various flexible Cu-based films could be…
The formation of deuterated molecules is favoured at low temperatures and high densities. Therefore, the deuteration fraction D$_{frac}$ is expected to be enhanced in cold, dense prestellar cores and to decrease after protostellar birth.…
We consider the problem of atmospheric tomography, as it appears for example in adaptive optics systems for extremely large telescopes. We derive a frame decomposition, i.e., a decomposition in terms of a frame, of the underlying…
The interaction of water with Fe$_3$O$_4$(001) is studied by density functional theory (DFT) calculations including an on-site Coulomb term. For isolated molecules dissociative adsorption is strongly promoted at surface defect sites, while…
Organic charge transfer salts show a variety of complex phases ranging from antiferromagnetic long-range order, spin liquid, bad metal or even superconductivity. A powerful method to investigate magnetism is spin-polarized inelastic neutron…
Polyphenols are natural molecules of crucial importance in many applications, of which tannic acid (TA) is one of the most abundant and established. Most high-value applications require precise control of TA interactions with the system of…
The formation energies of nanostructures play an important role in determining their properties, including the catalytic activity. For the case of 15 different rutile and 8 different perovskite metal oxides, we find that the density…
We develop a classical density functional theory (DFT) for two site associating fluids in spatially uniform external fields which exhibit orientational inhomogeneities. The Helmholtz free energy functional is obtain using Wertheim's…
The morphometric approach is a powerful ansatz for decomposing the chemical potential for a complex solute into purely geometrical terms. This method has proven accuracy in hard spheres, presenting an alternative to comparatively expensive…
We demonstrate a novel technique for cooling a degenerate Fermi gas in a crossed-beam optical dipole trap, where high-energy atoms can be selectively removed from the trap by modulating the stiffness of the trapping potential with…
The aim of the paper is to show that the nowadays experimental data from superallowed nuclear and neutron $\beta$ decays, and from leptonic and semileptonic decays allow the finding of the most probable numerical form of the KM matrix, as…
In many mechanical, electrical, and general physical systems evolving over time or space, spectral analysis methods as Fast Fourier Transform (FFT), Short Term Fourier Transform (STFT), Power Spectrum Density (PSD) plays a very important…
Exponential operator decompositions are an important tool in many fields of physics, for example, in quantum control, quantum computation, or condensed matter physics. In this work, we present a method for obtaining such decompositions,…
In this study, we carried out an investigation of the EuCoA$_2$As$_2$ compound, focusing on its various physical properties. Our analysis covered the structural, magnetic, electronic, optical, thermodynamic and thermoelectric…