Buscar recursos académicos

Structural and electronic characteristics of neutral and charged vacancies of cadmium and sulfur in CdS nanocrystals have been performed using the density functional method with hybrid exchange-correlation functional. To...

In this research, we investigate the mechanical, phonon dispersion, and electronic properties of Niobium (Nb) using Density Functional Theory (DFT). Utilizing the Quantum ESPRESSO package, we performed comprehensive DFT ...

The cubic Ni3.3C carbide has been fabricated by mechanical alloying of elemental Ni powder and the multiwalled carbon nanotubes in a high energy planetary ball mill. Crystal structure of carbide obtained belongs to the d...

The present paper deals with design of Si3N4 doped PVA/PEO new structures  to use in different optic, electronic, photonic and electric approaches with distinguished  characteristics included few cost, high corrosion r...

The solid-state Cd0.75X0.25Te (X= Cu, Ag, and Au) solutions crystallize in the cubic structure and are studied in the framework of density functional theory. The theoretical first-principle calculations of the electronic...

This paper aims to investigate the structural, optical and electrical properties of PEO doped with NiO. The DFT calculations have been performed using Gaussian 09 package of programs. The calculated electronic properties...

Nanosized CuFe2O4 ferrite was synthesized through the sol-gel self-combustion technique, using iron and copper nitrates with citric acid as fuel. The synthesized ferrite was subsequently analyzed using X-ray diffraction ...

The peculiarities of electronic and crystal structures of Zr1-xVxNiSn (x = 0-0.10) semiconductive solid solution were investigated. To predict Fermi level εF behavior, band gap εg and electrokinetic characteristics of ...

Vanadium oxide thin films were fabricated using a multi-step deposition process involving magnetron sputtering and sequential annealing. The structural, vibrational, and nanomechanical properties of the films were invest...

The conductivity of the Li-containing Al-oxoferrite samples has been studied. Using Jonsher’s phenomenological approach, existence of 2 types of conductivity (electronic and ionic) in the above mentioned samples has be...

Organic non-linear optical Benzimidazolium salicylate (BISA) single crystals have been harvested from methanol solution by slow evaporation method. The grown crystals belong to the monoclinic crystal system with space gr...

The presented study systematically investigated the influence of different thiourea (TU) concentrations on the synthesis and properties of ZnO/ZnS nanocomposites using an electrochemical anodization method. TU acted as a...

The high value of the specific surface area in quasi-2D crystals, with the possibility of a large variation of their properties due to external factors, allows us to consider them as electrode materials for supercapacito...

It is shown that when a conductive crystal with electric field strength  and a temperature gradient  is placed in a magnetic field with an induction vector , processes of charge and heat carriers transport occur, and t...