The structural and conducting properties of single-wall carbon nanotubes SWCNs in embedded as well as in side contact with metal leads are obtained using efficient formalisms based on spin polarized tight-binding formulation incorporating full consideration of s, p, and d basis sets for carbon and metal atoms. The full structural relaxation of the combined SWCN and metal system is found to be e...

Upon metal-metal contact, a transfer of electrons will occur between the metals until the Fermi levels in both phases are equal, resulting in a net charge difference across the metal-metal interface. Here, we have examined this contact electrification in bimetallic model systems composed of mixed Au-Ag nanoparticles containing ca. 600 atoms using density functional theory calculations. We prese...

Owing to their superior electrical characteristics, nanometer dimensions and definable lengths, single-walled carbon nanotubes (SWCNTs) are considered as one of the most promising materials for various types of nanodevices. Additionally, they can be used as either passive or active elements. To be integrated into circuitry or devices, they are typically connected with metal leads to provide ele...

in concentration of hydrogen peroxide, first, the solution should be quite pure, and then, it concentrate with methods such as vacuum distillation and cooling crystallization, because impurities in the hydrogen peroxide solution in high concentrations are causing decomposition of this substance; that is very dangerous. the purpose of this article is separation of chromium and magnesium cations ...