With the end of Moore's law in sight, researchers are in search of an alternative approach to manipulate information. Spintronics or spin-based electronics, which uses the spin state of electrons to store, process and communicate information, offers exciting opportunities to sustain the current growth in the information industry. For example, the discovery of the giant magneto resistance (GMR) ...

Water-filled nanometer-scale porous structures have gained considerable attention over the past decade due to their enormous promise in substantially improving the performance and efficiency of many applications such as biological/chemical systems,1-3 water purification systems,4 fuel cell devices,5 etc. Single-walled carbon nanotubes (SWCNTs), due to their extraordinary physical and chemical p...

© 2010 American Institute of Physics, S-0031-9228-1011-020-5 Tailored materials have long been central to condensedmatter physics. They often lead to new insights about the underlying physics governing the properties of materials— natural and synthetic—and sometimes provide new opportunities for applications. Superconductors are just one example. In the quest for higher transition temperatures,...

The storage capacity of hydrogen on Na-decorated born nitride nanotubes (BNNTs) is investigated by using density functional theory within Quantum Espresso and Gaussian 09. The results obtained predict that a single Na atom tends to occupy above the central region of the hexagonal rings in (5,0) and (3,3) BNNT structures with a binding energy of -2.67 and -4.28 eV/Na-atom respectively. When a si...

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 ...

during the last decades a new class of materials named fiber/metal laminates (fmls) was introduced. it is a hybrid composite consisting of alternating thin layers of metal sheets and fiber-reinforced composite material. fmls have both low weight and good mechanical properties. in this study, the impact behavior of this attractive material is investigated. the effect of fiber angle, stacking seq...

Investigations on gas adsorption in nanostructures are important for potential applications such as full cell, gas sensor, hydrogen storage, etc.we examine the possibility of Ga/In doped on BN nanotubes as a potential gas sensors for NH3 detection by first-principal calculations based on density functional theory(DFT). The parameters investigated in this paper involve; binding energies, DOS, Me...

The structure and the electronic properties of single-walled zigzag BN and B3C2N3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. A plane–wave basis set with periodic boundary conditions in conjunction with Vanderbilt ultrasoft pseudo-potential was employed. The energy gap of ZB3C<su...