The effect of oxygen exposure on pentacene electronic structure

We use ultraviolet photoelectron spectroscopy to investigate the effect of oxygen and air exposure on the electronic structure of pentacene single crystals and thin films. It is found that O₂ and water do not react noticeably with pentacene, whereas singlet oxygen/ozone readily oxidize the organic compound. Also, we obtain no evidence for considerable p-type doping of pentacene by O₂ at low pressure. However, oxygen exposure lowers the hole injection barrier at the interface between Au and pentacene by 0.25 eV, presumably due to a modification of the Au surface properties.     

Electronic structure of Ru impurities in iron

The molecular cluster discrete variational method has been employed to study the magnetic properties of Ru impurities and Ru monolayers in iron. With the introduction of Ru atoms in the neighborhood of an Fe atom the local moment changes appreciably and the magnetization decreases steadily. By increasing Ru concentration both ferromagnetic and antiferromagnetic Fe–Ru couplings can be expected in dilute alloys. The calculations indicate that the contact hyperfine fields of Fe atoms are strongly dependent on the chemical environment as well as on the local symmetry.     

Femtosecond laser ablation profile near an interface: Analysis based on the correlation with superficial properties of individual materials

Femtosecond laser ablation of materials is turning to be an important tool for micromachining as well as for selective removal of biological tissues. In a great number of applications, laser ablation has to process through interfaces separating media of different properties. The investigation of the ablation behavior within materials and passing through interfaces is the main aim of this study. Especially, the analysis of the discontinuity in the ablation profile close to interfaces between distinct materials can reveal some of the phenomena involved in the formation of an ablated microcavity geometry. We have used a method that correlates the ablation cross sectional area with the local laser intensity. The effective intensity ablation properties were obtained from surface ablation data of distinct materials. The application of this method allows the prediction of the occurrence of a size discontinuity in the ablation geometry at the interface of distinct media, a fact which becomes important when planning applications in different media.     

Numerical simulation of the horizontal Bridgman growth. Part II: Three-dimensional flow

We study the steady-state three-dimensional flow which occurs in a horizontal crucible of molten metal under the action of a horizontal temperature gradient. The geometry and the boundary conditions are similar to those encountered in the Bridgman growth process of semiconductor crystals. We find that three-dimensional effects can have a dramatic influence upon the flow, which, before the onset of periodic disturbances, differs appreciably from its two-dimensional counterpart. We also investigate the sensitivity of the flow to non-symmetric disturbances.     

A Uniquely Configured Acetylcholinesterase‐Lecithin Biomimetic Sensing Structure at Cyclohexane/Water Interface for Electrochemical Determination of Fenthion in Organic Solvent

An acetylcholinesterase (AChE)‐lecithin biomimetic structure was constructed at the oil/water interface for the direct determination of fenthion in cyclohexane. Indophenol acetate in oil phase was hydrolyzed by AChE at the two‐phase interface to produce indophenol. Square wave voltammetry was used to monitor the current decrease of substrate to assess AChE activity. The AChE incorporated in the lecithin‐based biomimetic layer possessed higher enzymatic activity and was more sensitive to fenthion inhibition than freestanding AChE. A linear relationship between the inhibition percentage and logarithm of fenthion concentration was obtained in a concentration range from 1 ng/mL to 1 mg/mL.     

Impact of film thickness on threshold voltage of polysilicon TFTs

The threshold voltage is a key parameter in the silicon MOSFETS design and operation. In this paper, we study the factors that contribute to the changes of threshold voltage of thin-film LPCVD polysilicon transistors when varying the thickness of the active layer.The results show that the threshold voltage depends strongly on the film thickness. For high thicknesses, the threshold voltage is shown to be determined by the trapped holes at grain boundaries. The variation of this parameter with film thickness can be attributed to inter-granular trap states density variation in the film.For low thicknesses, a simple electrostatic model of the study structure, associated with a numerical method of solving 2D-Poisson's equations, shows that the changes of threshold voltage of polysilicon TFT depends on grain-boundary properties and charge-coupling between the front and back gates. Based on this consideration, the usual threshold voltage expression is modified. The results so obtained are compared with the available experimental data, which show a satisfactory match thus justifying the validity of the proposed relation.     

A general solution to the Schrödinger–Poisson equation for a charged hard wall: Application to potential profile of an AlN/GaN barrier structure

A general, system-independent, formulation of the parabolic Schrödinger–Poisson equation is presented for a charged hard wall in the limit of complete screening by the ground state. It is solved numerically using iteration and asymptotic boundary conditions. The solution gives a simple relation between the band bending and sheet charge density at an interface. Approximative analytical expressions for the potential profile and wave function are developed based on properties of the exact solution. Specific tests of the validity of the assumptions leading to the general solution are made. The assumption of complete screening by the ground state is found be a limitation; however, the general solution provides a fair approximate account of the potential profile when the bulk is doped. The general solution is further used in a simple model for the potential profile of an AlN/GaN barrier structure. The result compares well with the solution of the full Schrödinger–Poisson equation.     

Lattice-Boltzmann simulations of dynamic interfacial tension due to soluble amphiphilic surfactant

An amphiphilic Lattice-Boltzmann approach is adopted to model dynamic interfacial tension due to non-ionic surfactant. In the current system, the surfactant adsorption kinetics is diffusion dominated and the interface separates two immiscible fluids. A rotational relaxation time and a diffusive/viscous relaxation time are associated with the surfactant. The model results are compared with experimental data for the dynamic interfacial tension of a pendant oil droplet in water, with oil soluble surfactant. We demonstrate how to adapt and calibrate the model to capture the adsorption timescale of the surfactant and the magnitude of interfacial tension reduction due to surfactant. A scheme to overcome numerical instabilities due to the relatively low surfactant concentration, is devised. We are able to qualitatively match the Frumkin equation of state for the interfacial tension.     

Investigation of void formation beneath thin AlN layers by decomposition of sapphire substrates for self-separation of thick AlN layers grown by HVPE

Void formation at the interface between thick AlN layers and (0 0 0 1) sapphire substrates was investigated to form a predefined separation point of the thick AlN layers for the preparation of freestanding AlN substrates by hydride vapor phase epitaxy (HVPE). By heating 50–200 nm thick intermediate AlN layers above 1400 °C in a gas flow containing H₂ and NH₃, voids were formed beneath the AlN layers by the decomposition reaction of sapphire with hydrogen diffusing to the interface. The volume of the sapphire decomposed at the interface increased as the temperature and time of the heat treatment was increased and as the thickness of the AlN layer decreased. Thick AlN layers subsequently grown at 1450 °C after the formation of voids beneath the intermediate AlN layer with a thickness of 100 nm or above self-separated from the sapphire substrates during post-growth cooling with the aid of voids. The 79 μm thick freestanding AlN substrate obtained using a 200 nm thick intermediate AlN layer had a flat surface with no pits, high optical transparency at wavelengths above 208.1 nm, and a dislocation density of 1.5×10⁸ cm⁻².     

On the origin of the phase–space diffusion limit in (dis)ordered protein aggregation

Derivation of a phase–space diffusion limit (D-L) allows to obtain a useful formula for a characteristic width of the macroion-channeling filter, controlling model (dis)ordered protein aggregations in a non-ideal aqueous solution. The channel’s width is estimated at the order of an inner half-width of the Stern-type double layer circumventing the growing object and depends in turn on an interplay of the local thermal and electrostatic conditions. The interfacial channeling effect manifests at the edge of biomolecular hydration-duration dependent (non)Markovianity of the system. The interface vs. solution aggregation late-time dynamics are discussed in such local (non)isothermal context with the aim to suggest their experimental assessment.