Ionic current inversion in pressure-driven polymer translocation through nanopores

We predict streaming current inversion with multivalent counterions in hydrodynamically driven polymer translocation events from a correlation-corrected charge transport theory including charge fluctuations around mean-field electrostatics. In the presence of multivalent counterions, electrostatic many-body effects result in the reversal of the DNA charge. The attraction of anions to the charge-inverted DNA molecule reverses the sign of the ionic current through the pore. Our theory allows for a comprehensive understanding of the complex features of the resulting streaming currents. The underlying mechanism is an efficient way to detect DNA charge reversal in pressure-driven translocation experiments with multivalent cations.Comment: This version is accepted for publication in Physical Review Letter

Stable Monolayer alpha-Phase of CdTe: Strain-Dependent Properties

CdTe is a well known and widely used binary compound for optoelectronic applications. In this study, we propose the thinnest, free standing monolayer of CdTe which holds the tetragonal-PbO (alpha-PbO) symmetry. The structural, electronic, vibrational and strain dependent properties are investigated by means of first principles calculations based on density functional theory. Our results demonstrate that the monolayer alpha-CdTe is a dynamically stable and mechanically flexible material. It is found that the thinnest monolayer crystal of CdTe is a semiconductor with a direct band gap of 1.95 eV, which corresponds to red light in the visible spectrum. Moreover, it is found that the band gap can be tunable under biaxial strain. With its strain-controllable direct band gap within the visible spectrum, stable alpha-phase of monolayer CdTe is a suitable candidate for optoelectronic device applications

Dipolar depletion effect on the differential capacitance of carbon based materials

The remarkably low experimental values of the capacitance data of carbon based materials in contact with water solvent needs to be explained from a microscopic theory in order to optimize the efficiency of these materials. We show that this experimental result can be explained by the dielectric screening deficiency of the electrostatic potential, which in turn results from the interfacial solvent depletion effect driven by image dipole interactions. We show this by deriving from the microscopic system Hamiltonian a non-mean-field dipolar Poisson-Boltzmann equation. This can account for the interaction of solvent molecules with their electrostatic image resulting from the dielectric discontinuity between the solvent medium and the substrate. The predictions of the extended dipolar Poisson-Boltzmann equation for the differential capacitance are compared with experimental data and good agreement is found without any fitting parameters

Abundance analyses of helium-rich subluminous B stars

The connection between helium-rich hot subdwarfs of spectral types O and B (He-sdB) has been relatively unexplored since the latter were found in significant numbers in the 1980's. In order to explore this connection further, we have analysed the surface composition of six He-sdB stars, including LB 1766, LB 3229, SB 21 (= Ton-S 137 = BPS 29503-0009), BPS 22940-0009, BPS 29496-0010, and BPS 22956-0094. Opacity-sampled line-blanketed model atmospheres have been used to derive atmospheric properties and elemental abundances. All the stars are moderately metal-poor compared with the Sun ([Fe/H] ~ -0.5). Four stars are nitrogen-rich, two of these are carbon-rich, and at least four appear to be neon-rich. The data are insufficient to rule out binarity in any of the sample. The surface composition and locus of the N-rich He-sdBs are currently best explained by the merger of two helium white dwarfs, or possibly by the merger of a helium white dwarf with a post-sdB white dwarf. C-rich He-sdBs require further investigation.Comment: Accepted 2010 July

Ag and Au Atoms Intercalated in Bilayer Heterostructures of Transition Metal Dichalcogenides and Graphene

The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures.Comment: accepted, APL Ma

Quantum Transport Characteristics of Lateral pn-Junction of Single Layer TiS3

Using density functional theory and nonequilibrium Greens functions-based methods we investigated the electronic and transport properties of monolayer TiS3 pn-junction. We constructed a lateral pn-junction in monolayer TiS3 by using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 pn-junction. In addition, spin dependent current-voltage characteristics of the constructed TiS3 pn-junction were analyzed. Important device characteristics were found such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 pn-junction. These prominent conduction properties of TiS3 pn-junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material

Controlling Polymer Capture and Translocation by Electrostatic Polymer-Pore Interactions

Polymer translocation experiments typically involve anionic polyelectrolytes such as DNA molecules driven through negatively charged nanopores. Quantitative modelling of polymer capture to the nanopore followed by translocation therefore necessitates the consideration of the electrostatic barrier resulting from like-charge polymer-pore interactions. To this end, in this work we couple mean-field level electrohydrodynamic equations with the Smoluchowski formalism to characterize the interplay between the electrostatic barrier, the electrophoretic drift, and the electro-osmotic liquid flow. In particular, we find that due to distinct ion density regimes where the salt screening of the drift and barrier effects occur, there exists a characteristic salt concentration maximizing the probability of barrier-limited polymer capture into the pore. We also show that in the barrier-dominated regime, the polymer translocation time increases exponentially with the membrane charge and decays exponentially fast with the pore radius and the salt concentration. These results suggest that the alteration of these parameters in the barrier-driven regime can be an efficient way to control the duration of the translocation process and facilitate more accurate measurements of the ionic current signal in the pore

hh-AlN-Mg(OH)2_{2} vdW Bilayer Heterostructure: Tuning the excitonic characteristics

Motivated by recent studies that reported the successful synthesis of monolayer Mg(OH)$_{2}$ [Suslu \textit{et al.}, Sci. Rep. \textbf{6}, 20525 (2016)] and hexagonal (\textit{h}-)AlN [Tsipas \textit{et al}., Appl. Phys. Lett. \textbf{103}, 251605 (2013)], we investigate structural, electronic, and optical properties of vertically stacked $h$-AlN and Mg(OH)$_{2}$, through \textit{ab initio} density-functional theory (DFT), many-body quasi-particle calculations within the GW approximation, and the Bethe-Salpeter equation (BSE). It is obtained that the bilayer heterostructure prefers the $AB^{\prime}$ stacking having direct band gap at the $\Gamma$ with Type-II band alignment in which the valance band maximum and conduction band minimum originate from different layer. Regarding the optical properties, the imaginary part of the dielectric function of the individual layers and hetero-bilayer are investigated. The hetero-bilayer possesses excitonic peaks which appear only after the construction of the hetero-bilayer. The lowest three exciton peaks are detailedly analyzed by means of band decomposed charge density and the oscillator strength. Furthermore, the wave function calculation shows that the first peak of the hetero-bilayer originates from spatially indirect exciton where the electron and hole localized at $h$-AlN and Mg(OH)$_{2}$, respectively, which is important for the light harvesting applications.Comment: Accepted by Physical Review

On singularities of the Galilean spherical darboux ruled surface of a space curve in G₃

We study the singularities of Galilean height functions intrinsically related to the Frenet frame along a curve embedded into the Galilean space. We establish the relationships between the singularities of the discriminant and the sets of bifurcations of the function and geometric invariants of curves in the Galilean space.Досліджено особливості галілеївських функцій висоти, що внутрішньо пов'язані із рамкою Френе вздовж кривої, вкладеної у галілеївський простір. Встановлено співвідношення між особливостями множини дискримінантів та множини біфуркацій функції і геометричними інваріантами кривих у галілеївському просторі