Enhancing CO2 photoreduction over ZIF-based reticular materials by morphology control of Au plasmonic nanoparticles

Zeolitic imidazolate frameworks (ZIFs) are promising photocatalysts for CO2 reduction due to their proper energy band structure and crystalline properties. However, CO2 conversion is still low due to the serious...

Influence of pH-Neutral Lithium Polystyrenesulfonate Polyelectrolyte on the Energy Band Structure and Performance of Organic Solar Cells

Poly(3,4-ethylenedioxythiophene) : polystyrene sulfonate (PEDOT:PSS) is used ubiquitously in organic solar cells (OSCs) devices, however, it is not clear how the anionic PSS component by itself affects the band structure...

Study of Electronic Properties of GaAs Semiconductor Using Density Functional Theory

The properties of GaAs material in zinc blende type was calculated using Hiroshima Linear Plane Wave program based on the Density Functional Theory. This calculation aims to determine electronic properties of GaAs material are based on Density of States and energy band structure. This simulation’s results are DOS shows that hybridization of s orbital of Ga with s orbital of As provides covalent properties. The simulation of energy band structure from GaAs material indicates that semiconductor properties of GaAs is direct band gap. The energy band gap results obtained for GaAs is 0.80 eV. The computational result of the energy band gap calculation form HiLAPW has better accuracy and prediction with good agreement within reasonable acceptable errors when compared to some other DFT programs and the results of the experimental obtained.

Some properties of germanene when adsorption of NH3 in the external field

This work studies on germanene when adsorbing NH3 gas, the system is placed in an 0 external electric field of 0.3 V / AÅ. By using the density functional theory (DFT) and VASP software, the properties of the energy band structure, the density of the state, and the charge displacement have been studied. There are four locations in which NH3 doped research is hollow, bridge, valley, and top. At the bridge position for the minimum adsorption energy, this indicates that the bridge position is the most optimal position when doped with NH3. The state density energy region structure, the charge displacement will be studied for the most optimal position. Placing the system in an external electric field will change the energy band structure as well as other properties of the NH3 doped germanene. This study will be useful for all steps of research in sensor or biomedical.

Energy band structure of multistream quantum electron system

In this paper, using the quantum multistream model, we develop a method to study the electronic band structure of plasmonic excitations in streaming electron gas with arbitrary degree of degeneracy. The multifluid quantum hydrodynamic model is used to obtain N-coupled pseudoforce differential equation system from which the energy band structure of plasmonic excitations is calculated. It is shown that inevitable appearance of energy bands separated by gaps can be due to discrete velocity filaments and their electrostatic mode coupling in the electron gas. Current model also provides an alternative description of collisionless damping and phase mixing, i.e., collective scattering phenomenon within the energy band gaps due to mode coupling between wave-like and particle-like oscillations. The quantum multistream model is further generalized to include virtual streams which is used to calculate the electronic band structure of one-dimensional plasmonic crystals. It is remarked that, unlike the empty lattice approximation in free electron model, energy band gaps exist in plasmon excitations due to the collective electrostatic interactions between electrons. It is also shown that the plasmonic band gap size at first Brillouin zone boundary maximizes at the reciprocal lattice vector, G, close to metallic densities. Furthermore, the electron-lattice binding and electron-phonon coupling strength effects on the electronic band structure are discussed. It is remarked that inevitable formation of energy band structure is a general characteristics of various electromagnetically and gravitationally coupled quantum multistream systems.