876 resultados para CONDUCTING NANOWIRES
Resumo:
Nano-structured silicon anodes are attractive alternatives to graphitic carbons in rechargeable Li-ion batteries, owing to their extremely high capacities. Despite their advantages, numerous issues remain to be addressed, the most basic being to understand the complex kinetics and thermodynamics that control the reactions and structural rearrangements. Elucidating this necessitates real-time in situ metrologies, which are highly challenging, if the whole electrode structure is studied at an atomistic level for multiple cycles under realistic cycling conditions. Here we report that Si nanowires grown on a conducting carbon-fibre support provide a robust model battery system that can be studied by (7)Li in situ NMR spectroscopy. The method allows the (de)alloying reactions of the amorphous silicides to be followed in the 2nd cycle and beyond. In combination with density-functional theory calculations, the results provide insight into the amorphous and amorphous-to-crystalline lithium-silicide transformations, particularly those at low voltages, which are highly relevant to practical cycling strategies.
Resumo:
Optical pump-terahertz probe spectroscopy was used to study the key electronic properties of GaAs, InAs and InP nanowires at room temperature. Of all nanowires studied, InAs nanowires exhibited the highest mobilities of 6000 cm2V-1s-1. InP nanowires featured the longest photoconductivity lifetimes and an exceptionally low surface recombination velocity of 170 cm/s. © 2013 IEEE.
Resumo:
Accurately measuring the electronic properties of nanowires is a crucial step in the development of novel semiconductor nanowire-based devices. With this in mind, optical pump-terahertz probe (OPTP) spectroscopy is ideally suited to studies of nanowires: it provides non-contact measurement of carrier transport and dynamics at room temperature. OPTP spectroscopy has been used to assess key electrical properties, including carrier lifetime and carrier mobility, of GaAs, InAs and InP nanowires. The measurements revealed that InAs nanowires exhibited the highest mobilities and InP nanowires exhibited the lowest surface recombination velocity. © 2013 Copyright SPIE.
Resumo:
The Ni silicide formed at low temperature on Si nanowire has been analyzed by atom probe tomography (APT) thanks to a special technique for sample preparation. A method of preparation has been developed using the focused ion beam (FIB) for the APT analysis of nanowires (NWs). This method allow for the measurement of the radial distribution when a NW is cut, buried in a protective metal matrix, and finally mounted on the APT support post. This method was used for phosphorous doped Si NWs with or without a silicide shell, and allows obtaining the concentration and distribution of chemical elements in three-dimensions (3D) in the radial direction of the NWs. The distribution of atoms in the NWs has been measured including dopants and Au contamination. These measurements show that δ-Ni2Si phase is formed on Si NW, Au is found as cluster at the Ni/δ-Ni2Si interface and P is segregated at the δ-Ni2Si/ Si NW interface. The results obtained on NWs after silicidation were compared with the silicide on the Si substrate, showing that the same silicide phase δ-Ni2Si formed in both cases (NWs and substrate). © 2013 Elsevier B.V. All rights reserved.
Resumo:
Codoping of p-type GaN nanowires with Mg and oxygen was investigated using first-principles calculations. The Mg becomes a deep acceptor in GaN nanowires with high ionization energy due to the quantum confinement. The ionization energy of Mg doped GaN nanowires containing passivated Mg-O complex decreases with increasing the diameter, and reduces to 300 meV as the diameter of the GaN nanowire is larger than 2.01 nm, which indicates that Mg-O codoping is suitable for achieving p-type GaN nanowires with larger diameters. The codoping method to reduce the ionization energy can be effectively used in other semiconductor nanostructures. (C) 2010 American Institute of Physics.
Resumo:
Molecular dynamics simulations with the Tersoff potential were used to study the response of twinned SiC nanowires under tensile and compressive strain. The critical strain of the twinned nanowires can be enhanced by twin stacking faults, and their critical strains are larger than those of perfect nanowires with the same diameters. Under axial tensile strain, the bonds of the nanowires are stretched just before failure. The failure behavior is found to depend on the twin segment thickness and the diameter of the nanowires. An atomic chain is observed for thin nanowires with small twin segment thickness under tension strain. Under axial compressive strain, the collapse of twinned SiC nanowires exhibits two different failure modes, depending on the length and diameter of the nanowires, i.e., shell buckling for short nanowires and columnar buckling for longer nanowires.
Resumo:
Atomic configurations and formation energies of native defects in an unsaturated GaN nanowire grown along the [001] direction and with (100) lateral facets are studied using large-scale ab initio calculation. Cation and anion vacancies, antisites, and interstitials in the neutral charge state are all considered. The configurations of these defects in the core region and outermost surface region of the nanowire are different. The atomic configurations of the defects in the core region are same as those in the bulk GaN, and the formation energy is large. The defects at the surface show different atomic configurations with low formation energy. Starting from a Ga vacancy at the edge of the side plane of the nanowire, a N-N split interstitial is formed after relaxation. As a N site is replaced by a Ga atom in the suboutermost layer, the Ga atom will be expelled out of the outermost layers and leaves a vacancy at the original N site. The Ga interstitial at the outmost surface will diffuse out by interstitialcy mechanism. For all the tested cases N-N split interstitials are easily formed with low formation energy in the nanowires, indicating N-2 molecular will appear in the GaN nanowire, which agrees well with experimental findings.
Resumo:
Using first-principles methods, we systematically study the mechanism of defect formation and electronic structures for 3d transition-metal impurities (V, Cr, Mn, Fe, and Co) doped in silicon nanowires. We find that the formation energies of 3d transition-metal impurities with electrons or holes at the defect levels always increase as the diameters of silicon nanowires decrease, which suggests that self-purification, i.e., the difficulty of doping in silicon nanowires, should be an intrinsic effect. The calculated results show that the defect formation energies of Mn and Fe impurities are lower than those of V, Cr, and Co impurities in silicon nanowires. It indicates that Mn and Fe can easily occupy substitutional site in the interior of silicon nanowires. Moreover, they have larger localized moments, which means that they are good candidates for Si-based dilute magnetic semiconductor nanowires. The doping of Mn and Fe atom in silicon nanowires introduces a pair of energy levels with t(2) symmetry. One of which is dominated by 3d electrons of Mn or Fe, and the other by neighboring dangling bonds of Si vacancies. In addition, a set of nonbonding states localized on the transition-metal atom with e symmetry is also introduced. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3000445]
Resumo:
The electronic structure and optical gain of wurtzite ZnO nanowires are investigated in the framework of effective-mass envelope-function theory. We found that as the elliptical aspect ratio e increases to be larger than a critical value, the hole ground states may change from optically dark to optically bright. The optical gain of ZnO nanowires increases as the hole density increases. For elliptical wire with large e, the y-polarized mode gain can be several thousand cm(-1), while the x-poiarized mode gain may be 26 times smaller than the former, so they can be used as ultraviolet linearly polarized lasers. (C) 2008 American Institute of Physics.
Resumo:
Based on the density functional theory, we study the magnetic coupling properties of Mn-doped ZnO nanowires. For the nanowires with passivated surfaces, the antiferromagnetic state is found and the Mn atoms have a clustering tendency. When the distance between two Mn atoms is large, the system energetically favors the paramagnetic or spin-glass state. For the nanowires with unpassivated surfaces, the ferromagnetic (FM) coupling states appear between the two nearest Mn atoms, and the zinc vacancies can further stabilize the FM states between them. The electrons with enough concentration possibly mediate the FM coupling due to the negative exchange splitting of conduction band minimum induced by the s-d coupling, which could be useful in nanomaterial design for spintronics. (C) 2008 American Institute of Physics.
Resumo:
The electronic structure, Zeeman splitting, and g factor of Mn-doped CdS nanowires are studied using the k center dot p method and the mean field model. It is found that the Zeeman splittings of the hole ground states can be highly anisotropic, and so can their g factors. The hole ground states vary a lot with the radius. For thin wire, g(z) (g factor when B is along the z direction or the wire direction) is a little smaller than g(x). For thick wire, g(z) is mcuh larger than g(x) at small magnetic field, and the anisotropic factor g(z)/g(x) decreases as B increases. A small transverse electric field can change the Zeeman splitting dramatically, so tune the g(x) from nearly 0 to 70, in thick wire. The anisotropic factor decreases rapidly as the electric field increases. On the other hand, the Zeeman splittings of the electron ground states are always isotropic.
Resumo:
The hole-mediated Curie temperature in Mn-doped wurtzite ZnO nanowires is investigated using the k center dot p method and mean field model. The Curie temperature T-C as a function of the hole density has many peaks for small Mn concentration (x(eff)) due to the density of states of one-dimensional quantum wires. The peaks of T-C are merged by the carriers' thermal distribution when x(eff) is large. High Curie temperature T-C > 400 K is found in (Zn,Mn)O nanowires. A transverse electric field changes the Curie temperature a lot. (Zn,Mn)O nanowires can be tuned from ferromagnetic to paramagnetic by a transverse electric field at room temperature. (c) 2007 American Institute of Physics.
Resumo:
This letter reports on the Raman, optical and magnetic properties of FeNi co-doped ZnO nanowires prepared via a soft chemical solution method. The microstructural investigations show that the NiFe co-dopants are substituted into wurtzite ZnO nanostructure without forming any secondary phase. The co-doped nanowires show a remarkable reduction of 34 nm (267.9 meV) in the optical band gap, while suppression in the deep-level defect transition in visible luminescence. Furthermore, these nanowires exhibit ferromagnetism and an interesting low-temperature spin glass behavior, which may arise due to the presence of disorder and strong interactions of frustrated spin moments of Ni and Fe co-dopants on the ZnO lattice sites. Copyright (C) EPLA, 2009
Resumo:
The defect formation energies of transition metals (Cr, Fe, and Ni) doped in the pseudo-H passivated ZnO nanowires and bulk are systematically investigated using first-principles methods. The general chemical trends of the nanowires are similar to those of the bulk. We also show that the formation energy increases as the diameter of the nanowire decreases, indicating that the doping of magnetic ions in the ZnO nanowire becomes more difficult with decreasing diameter. We also systematically calculate the ferromagnetic properties of transition metals doped in the ZnO nanowire and bulk, and find that Cr ions of the nanowire favor ferromagnetic state, which is consistent with the experimental results. We also find that the ferromagnetic coupling state of Cr is more stable in the nanowire than in the bulk, which may lead to a higher T (c) useful for the nano-materials design of spintronics.
Resumo:
The alloy formation enthalpy and band structure of InGaN nanowires were studied by a combined approach of the valence-force field model, Monte Carlo simulation, and density-functional theory (DFT). For both random and ground-state structures of the coherent InGaN alloy, the nanowire configuration was found to be more favorable for the strain relaxation than the bulk alloy. We proposed an analytical formula for computing the band gap of any InGaN nanowires based on the results from the screened exchange hybrid DFT calculations, which in turn reveals a better band-gap tunability in ternary InGaN nanowires than the bulk alloy.