Understanding the electronic and ionic conduction and lithium over-stoichiometry in LiMn 2 O 4 spinel
Spinel-type LiMn 2 O 4 is prone to lithium over-stoichiometry in which a certain amount of lithium ions occupy the manganese sites.
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Tailoring mechanical properties and electrical conductivity of flexible niobium carbide nanocomposite thin films
This work shows the potential of hard, elastic and electrically conductive nanocomposite NbC films for nano- and micro- electronics applications.
Nonequilibrium kinetic modeling of sintering of a layer of dispersed nanocrystals
Sintering of layers of dispersed nanocrystals for different temperature control protocols and initial configurations.
Non-invasive transmission electron microscopy of vacancy defects in graphene produced by ion irradiation
Irradiation with high-energy ions has been widely suggested as a tool to engineer properties of graphene. Experiments show that it indeed has a strong effect on graphene's transport, magnetic and mechanical characteristics. However, to use ion irradiation as an engineering tool requires understanding of the type and d…
Glass-like thermal conductivity in SrTiO 3 thermoelectrics induced by A-site vacancies
Vacancies on the perovskite A-site have been used to induce a glass-like thermal conductivity in crystalline SrTiO 3 .
Nonuniform growth and topological defects in the shaping of elastic sheets
We demonstrate that shapes with zero Gaussian curvature, except at singularities, produced by the growth-induced buckling of a thin elastic sheet are the same as those produced by the Volterra construction of topological defects in which edges of an intrinsically flat surface are identified. With this connection, we s…
Atomic layer deposition-based synthesis of photoactive TiO2 nanoparticle chains by using carbon nanotubes as sacrificial templates
Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the MWCNTs by atomic layer deposition (ALD) was transformed into chains of TiO2 nanopar…
Magnetization, crystal structure and anisotropic thermal expansion of single-crystal SrEr 2 O 4
The magnetization, crystal structure, and thermal expansion of a nearly stoichiometric Sr 1.04(3) Er 2.09(6) O 4.00(1) single crystal have been studied by PPMS measurements and in-house and high-resolution synchrotron X-ray powder diffraction.
Mechanical properties and fracture dynamics of silicene membranes
As graphene has become one of the most important materials, there is renewed interest in other similar structures. One example is silicene, the silicon analogue of graphene. It shares some of the remarkable graphene properties, such as the Dirac cone, but presents some distinct ones, such as a pronounced structural bu…
Structure and stability of two dimensional phosphorene with O or NH functionalization
We investigate the stability and electronic properties of oxy- (O) or imine- (NH) functionalized monolayer phosphorene with either single-side or double-side functionalization based on density-functional theory calculations.
Resistance and lifetime measurements of polymer solar cells using glycerol doped poly[3,4-ethylenedioxythiophene]: poly[styrenesulfonate] hole injection layers
We have performed resistivity measurements of poly[3,4-ethylenedioxythiophene]: poly[styrenesulfonate] (PEDOT:PSS) films with varying concentrations of glycerol. Resistivity is seen to decrease exponentially from roughly 3 Ω-cm for pure PEDOT:PSS to 3 × 10-2Ω-cm for 35 mg/cm3 glycerol in PEDOT:PSS. Beyond this concent…
Giant magnetoresistance and spin Seebeck coefficient in zigzag α-graphyne nanoribbons
We investigate the spin-dependent electric and thermoelectric properties of ferromagnetic zigzag α-graphyne nanoribbons (ZαGNRs) using density-functional theory combined with non-equilibrium Green's function method. A giant magnetoresistance is obtained in the pristine even-width ZαGNRs and can be as high as 10(6)%. H…
Crystallizing hard-sphere glasses by doping with active particles
Crystallization and vitrification are two different routes to form a solid. Normally these two processes suppress each other, with the glass transition preventing crystallization at high density (or low temperature). This is even true for systems of colloidal hard spheres, which are commonly used as building blocks fo…
Phonon bandgap engineering of strained monolayer MoS2
The phonon band structure of monolayer MoS₂ is characteristic of a large energy gap between acoustic and optical branches, which protects the vibration of acoustic modes from being scattered by optical phonon modes. Therefore, the phonon bandgap engineering is of practical significance for the manipulation of phonon-r…
Role of Self-Assembled Monolayers on Improved Electrical Stability of Amorphous In-Ga-Zn-O Thin-Film Transistors
Self-assembled monolayers (SAMs) have been used to improve both the positive and negative bias-stress stability of amorphous indium gallium zinc oxide (IGZO) bottom gate thin film transistors (TFTs). N-hexylphosphonic acid (HPA) and fluorinated hexylphosphonic acid (FPA) SAMs adsorbed on IGZO back channel surfaces wer…
Quantum-confined single photon emission at room temperature from SiC tetrapods
Controlled engineering of isolated solid state quantum systems is one of the most prominent goals in modern nanotechnology. In this letter we demonstrate a previously unknown quantum system namely silicon carbide tetrapods. The tetrapods have a cubic polytype core (3C) and hexagonal polytype legs (4H)--a geometry that…
Structural phase transitions in the kagome lattice based materials Cs 2−x Rb x SnCu 3 F 12 (x = 0, 0.5, 1.0, 1.5)
The system Cs 2−x Rb x SnCu 3 F 12 exhibits several different distorted variants of the kagome lattice, which are probed in detail by powder diffraction methods.
Theory of ferromagnetism driven by superexchange in dilute magnetic semi-conductors
Magnetic properties of Ga1−xMnxN are studied theoretically by employing a tight binding approach to determine exchange integrals Jij characterizing the coupling between Mn spin pairs located at distances Rij up to the 16th cation coordination sphere in zinc-blende GaN. It is shown that for a set of experimentally dete…
Heterogeneous nucleation of/on nanoparticles: a density functional study using the phase-field crystal model
Crystallization of supersaturated liquids usually starts by heterogeneous nucleation. Mounting evidence shows that even homogeneous nucleation in simple liquids takes place in two steps; first a dense amorphous precursor forms, and the crystalline phase appears via heterogeneous nucleation in/on the precursor cluster.…
Spin-polarized surface state in Li-doped SnO 2 (001)
Using LDA + U , we investigate Li-doped rutile SnO 2 (001) surface.