Related papers: Constructing silicon nanotubes by assembling hydro…
By means of pseudopotential calculations based on density functional theory (DFT) we studied the effect of hydrogenation on electronic properties of armchair single-wall carbon nanotubes. The calculations demonstrate strong preference for…
Nanostructures, especially of silicon, are of paramount importance for new generation solar cell applications. The key material requirements for solar cells are good electrical conductivity, confinement of excitons, and a tunable band-gap…
The ground state structures of small silicon clusters are determined through exhaustive tight-binding molecular dynamics simulation studies. These simulations revealed that \Si{11} is an icosahedron with one missing cap, \Si{12} is a…
The structural optimization and energetics studies of SiC graphitic-like structures have been investigated theoretically in the context of formations of stable graphitic-like layer structures, single- and multi-walled nanotubes using the…
Context. As the 4th most abundant element in the universe, carbon (C) is widespread in the interstellar medium (ISM) in various allotropic forms (e.g., fullerenes have been identified unambiguously in many astronomical environments, the…
Junctionless transistors made of silicon have previously been demonstrated experimentally and by simulations. Junctionless devices do not require fabricating an abrupt source-drain junction and thus can be easier to implement in aggressive…
Molecular level components, like carbon multiwalled nanotubes (MWNT), show great potential for future nanoelectronics. At low frequencies, only the outermost carbon layer determines the transport properties of the MWNT. Due to the…
Amorphous carbon nanotubes (a-CNT) with up to four walls and sizes ranging from 200 to 3200 atoms have been simulated, starting from initial random configurations and using the Gaussian Approximation Potential [Phys. Rev. B 95, 094203…
Single walled carbon nanotubes (SWNT) have displayed a wealth of quantum transport phenomena thus far. Defect free, unperturbed SWNTs with wellbehaved or tunable metal contacts are important to probing the intrinsic electrical properties of…
Macroscopic fibers of carbon nanotubes (CNT) have emerged as an ideal architecture to exploit the exceptional properties of CNT building blocks in applications ranging from energy storage to reinforcement in structural composites.…
The observation that the thermal conductivity of single-crystalline silicon nanowires with diameter on the length scale of 25 nm is lower than that of bulk material by two orders of magnitude has attracted the interest onto silicon as a…
Carbon nanotubes (CNTs) are currently considered a successor to silicon in future nanoelectronic devices. To realize this, controlled growth of defect-free nanotubes is required. Until now, the understanding of atomic-scale CNT growth…
Exploring the synthesis of novel molecular nanostructures has been in the forefront of material research in the last decade. One of the most interesting nanostructures are single wall carbon nanotubes (SWCNTs). Their catalyst free growth,…
We calculate the thermoelectric power (or thermopower) of many semiconducting single wall carbon nanotubes (s-SWNTs) within a diameter range 0.5-1.5 nm by using the Boltzmann transport formalism combined with an extended tight-binding…
We present a comprehensive study on the formation of micrometer-sized, textured hexagonal diamond silicon (hd-Si) crystals via nanoindentation followed by annealing. Utilizing advanced characterization techniques such as polarized Raman…
Tight-binding molecular dynamics simulated annealing technique is employed to search for the ground state geometries of silicon clusters containing 11-17 atoms. These studies revealed that layer formation is the dominant growth pattern in…
We report ultra-high density assembly of aligned single walled carbon nanotubes (SWNTs) two dimensional arrays via ac dielectrophoresis using high quality surfactant free and stable SWNT solutions. After optimization of frequency and…
The superconductivity of the 4-angstrom single-walled carbon nanotubes (SWCNTs) was discovered more than a decade ago, and marked the breakthrough of finding superconductivity in pure elemental undoped carbon compounds. The van Hove…
The intrinsic near-infrared photoluminescence observed in long single walled carbon nanotubes is systematically quenched in ultrashort single-walled carbon nanotubes (usCNTs, below 100 nm length) due to their short dimension as compared to…
Carbon nanotube (CNT) fiber is formed by assembling millions of individual tubes. The assembly feature provides the fiber with rich interface structures and thus various ways of energy dissipation, as reflected by the non-zero loss tangent…