zno and zno: mn nanocrystals synthesized via reverse micelle method. the structural properties nanocrystals were investigated by xrd and transmission electron microscopy (tem). the xrd results indicate that the synthesized nanocrystals had a pure wurtzite (hexagonal phase) structure. the various optical properties of these nanocrystals such as optical band gap energy, refractive index, dielectr...

The Density of State and the Natural Bond Orbital calculations were carried out to study theoxidation of CO on Au14 nano cluster through two different mechanisms and determining the bestmechanism for the reaction. Chemisorption of O2 and CO on the nano cluster led to change in energy,density of state and its thermodynamic properties. We calculated the energy band gap between thehighest occupied...

Borosilicate BK7 glasses doped with different amounts of CeO2 (0.5,1,1.5%) were prepared by the convenient melting process in this work. DTA analysis proved that 0.5-1% CeO2 has a network modifier role and then up to 1.5% it shows network former role.For structural studies, FT-IR and Raman spectroscopy were carried out. Fermi energy level, direct/ indirect optical band gap and Urbach energy wer...

At the present theoretical study, DFT calculations were performed for elucidating thereaction, absorption energy and the quantum molecular descriptors including electronic chemical potential, chemical hardness, Homo, Lumo, band gap energy (Eg) and finding the most active nitrogen-doped graphene sheet (N-G) for absorption H2S, CH4, N2 and CO2 gases. Finally it found that nitrogen-doped gra...

graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. structural and electronic properties for graphite-oxygen complexes have been explored using first-principles total-energy calculations within the local density approximation (lda). band structures and density of states for the propose carbon 3d models are reported. a finite energy gap and...

ZnO and ZnO:Mn nanocrystals synthesized via reverse micelle method. The size, band gap, Urbach energy, optical constants and penetration depth of nanocrystals were calculated by UV-vis spectroscopy data. The surface morphology was studied with the use of scanning electron microscope (SEM). Moreover the samples exposed to Gama ray source of 60Co and their thermoluminescence properties...

ZnO and ZnO:Mn nanocrystals synthesized via reverse micelle method. The size, band gap, Urbach energy, optical constants and penetration depth of nanocrystals were calculated by UV-vis spectroscopy data. The surface morphology was studied with the use of scanning electron microscope (SEM). Moreover the samples exposed to Gama ray source of 60Co and their thermoluminescence properties...

This study was an attempt to provide a simple solution processed synthesis route for Lead Selenide (PbSe) nanostructure thin films using the chemical bath deposition (CBD) method which is commercially available in inexpensive precursors. In the CBD method, the preparation parameters play a considerable role and determine the nature of the final product formed. Known as two main factors, the eff...

The band gap of semiconductors like silicon and silicon carbide (SiC) is the key for their device properties. In this research, the band gap of 6H-SiC and its temperature dependence were analyzed with silicon 2p x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES) and resonant inelastic x-ray scattering (RIXS) allowing for a separate analysis of the conduction-band minimum (CB...