The electronic charge density distribution or the electrostatic atomic potential of a solid or molecule contains information not only on the atomic structure, but also on the electronic properties, such as the nature of the chemical bonds or the degree of ionization of atoms. However, the redistribution of charge due to chemical bonding is small compared with the total charge density, and there...

In the current study, pure TiO2 and Cr-doped TiO2 (Cr@TiO2) nanoparticles were synthesized via sol-gel method and the resulting materials were applied to prepare the porous TiO2 electrodes for dye-sensitized solar cells (DSSCs). It is hypothesized that the advantages of the doping of the metal ions into TiO2 lattice are the temporary rapping of the photogenerated electron-hole (charge carriers)...

The model independent procedure of extracting charge density distributions from elastic electron scattering data is investigated. The charge density distributions are expanded on an orthonormal basis and the parameters of the expansions are fixed by the comparison with the experimental data. Two bases with different analytical properties (Fourier-Bessel and Hermite) are used. This allows us to ...

A brief presentation of the physics and physical realisations of classical and quantum 2 dimensional electron solids is followed by a tourist guide to some of the experiments.

In this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (BNNT) has been investigated by quantum calculations. In order to find the preferred adsorption site, different positions and orientations were considered. The impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...

We calculate the Hartree-Fock energy of a density-wave in a spin polarized twodimensional electron gas using a short-range repulsive interaction. We find that the stable ground state for a short-range potential is always either the paramagnetic state or the uniform ferromagnetic state. The energy of a density-wave state is, however, reduced by a factor proportional to (1 − ζ), where ζ is the po...

Gaining insights into the mechanisms of how order and broken symmetry emerges from many-particle interactions is a major challenge in solid state physics. Most experimental techniques—such as angle-resolved photoemission spectroscopy (ARPES)—probe the single-particle excitation spectrum and extract information about the ordering mechanism and collective effects, often indirectly through theory....

In this work, based on the experimental electron density, we present the approximate spatial distributions of the Pauli potential, one of the key quantities in the orbital-free density functional, for three crystalline systems: diamond, cubic boron nitride, and magnesium diboride. Our aim is to reveal a link between the Pauli potential and the orbital-free picture of chemical bond. We also expa...

Plasma flows occur in almost every laboratory device and interactions of flowing plasmas with near-wall impurities and/or dust significantly affects the efficiency and lifetime of such devices. The charged dust inside the magnetized flowing plasma moves primarily under the influence of the plasma drag and electric forces. Here, the charge on the dust, plasma potential, and plasma density are ca...