Search results for " density"
showing 10 items of 2709 documents
Current rectification in a single molecule diode: the role of electrode coupling.
2015
We demonstrate large rectification ratios (> 100) in single-molecule junctions based on a metal-oxide cluster (polyoxometalate), using a scanning tunneling microscope (STM) both at ambient conditions and at low temperature. These rectification ratios are the largest ever observed in a single-molecule junction, and in addition these junctions sustain current densities larger than 10^5 A/cm^2. By following the variation of the I-V characteristics with tip-molecule separation we demonstrate unambiguously that rectification is due to asymmetric coupling to the electrodes of a molecule with an asymmetric level structure. This mechanism can be implemented in other type of molecular junctions u…
Dielectric and Ferroelectric Properties of Lead-Free NKN and NKN-Based Ceramics
2011
Lead-free ceramics of Na0.5K0.5NbO3 (NKN), Na0.5K0.5(Nb0.94Sb0.06)O3 (NKNS6) and Na0.5K0.5(Nb0.94Sb0.06)O3 + 0.5%MnO2 (NKNS6 + 0.5%MnO2) have been prepared by a solid phase hot pressing sintering process. X-ray diffraction results show that the obtained samples possess the perovskite structure. The micrograph of the fractured surface showed a dense structure in a good agreement with that of 91–94% relative density determined by the Archimedes method. An average grain size decreases with Sb and Mn doping (from about 20 μm for NKN to about 5 and 2 μm for NKNS6 and NKNS6 + 0.5%MnO2, respectively). Low frequency (100 Hz–200 kHz) investigations revealed the diffuse phase transitions. It was foun…
Sub-gap defect density characterization of molybdenum oxide: An annealing study for solar cell applications
2020
AbstractThe application of molybdenum oxide in the photovoltaic field is gaining traction as this material can be deployed in doping-free heterojunction solar cells in the role of hole selective contact. For modeling-based optimization of such contact, knowledge of the molybdenum oxide defect density of states (DOS) is crucial. In this paper, we report a method to extract the defect density through nondestructive optical measures, including the contribution given by small polaron optical transitions. The presence of defects related to oxygen-vacancy and of polaron is supported by the results of our opto-electrical characterizations along with the evaluation of previous observations. As part…
Anodic oxide films on tungsten—II. The morphology and dissolution of the films
1980
Abstract Scanning electron microscopy was used to investigate the morphology of anodic oxide films on tungsten, obtained in various conditions of anodization. Studies were made of the growth of porous films, whose thickness increases with time and depends upon the current density. Temperature and electrolyte composition influence the film morphology. Gravimetric measurements of film dissolution at 70°C show that after a transient time, the rate of metal dissolution and that of film formation coincide. The porous films thicken because tungsten dissolves as WO 2 2+ and precipitates as WO 3 .H 2 O.
Abatement of 1,1,2,2-tetrachloroethane in water by reduction at silver cathode and oxidation at boron doped diamond anode in micro reactors
2012
The treatment of aqueous solutions of 1,1,2,2-tetrachloroethane was performed by anodic oxidation at boron doped diamond (BDD), cathodic reduction at silver and coupled processes. Experiments were performed in macro and micro reactors with an interelectrode distance lower than 100. μm. Drastically higher abatements of the chlorinated compound and current efficiencies were obtained in microdevices that, furthermore, allowed to perform the electrolyses with low cell voltages in the absence of supporting electrolyte. When reduction and oxidation processes were carried out simultaneously in the microreactor, a higher abatement of pollutants was obtained with the same amount of the passed charge…
First-Principles Calculations of the Atomic and Electronic Structure of CaTiO3(111) Surfaces
2011
The results of calculations of CaTiO3 polar (111) surface relaxations, rumplings, energetics, optical band gaps, and charge distribution using the ab initio code CRYSTAL and a hybrid description of exchange and correlation are presented. Using a hybrid B3LYP approach, the surface relaxation for the two possible Ti and CaO3 CaTiO3 (111) surface terminations are calculated. For both Ti and CaO3-terminated CaTiO3 (111) surfaces upper layer atoms relax inwards, while the second layer atoms, with the sole exception of CaO3-terminated surface Ca atom, relax outwards. Calculated surface relaxation energy for Ti-terminated CaTiO3 (111) surface is more than five times larger than the surface relaxat…
Hybrid organic-inorganic light emitting diodes: effect of the metal oxide
2010
Hybrid organic-inorganic light emitting diodes (HyLEDs), employing metal oxides as the electron injecting contacts, are interesting as an alternative to OLEDs. Until recently, the metal oxide of choice was either titanium dioxide or zinc oxide. In this work two wide bandgap metal oxides, HfO2 and MgO, are employed as electron injecting layer in HyLEDs. It is demonstrated that both the current density and the luminance values obtained are directly related to the barriers for electron injection (from the ITO to the metal oxide) and for hole transfer to the same metal oxide, outlining a new design rule for the optimization of HyLEDs. Record device efficacies (3.3 cd/A, >10000 cd/m2) using the …
Ab initio calculations of MgF2 (001) and (011) surface structure
2010
We present the results of calculations of surface relaxations, rumplings, and charge distribution for the MgF2 (0 0 1) and (0 1 1) surfaces using ab initio code Crystal-2003 and the hybrid exchange-correlation B3PW functional. These two neutral and polar surfaces show very small relaxation and negligible increase of covalent contribution to the chemical bonding thus remaining considerably ionic. The calculated bulk optical band gap is in a good agreement with the experimental value, whereas optical band gap for the polar (0 1 1) surface is reduced by 0.6 eV compared with the calculated bulk value, in contrast to the (0 0 1) surface gap which remains very close to the bulk.
Ab initio calculations of the atomic and electronic structure of MgF2 (011) and (111) surfaces
2011
Abstract The results of ab initio slab calculations of surface relaxations, rumplings and charge distribution for the different terminations of the MgF2 (011) and (111) polar surfaces are presented and discussed. We have employed the computer code CRYSTAL with the Gaussian basis set and the hybrid B3PW exchange-correlation functional. Despite the ionic nature of the chemical bonding at both surfaces, a considerable decrease of the optical band gap is predicted (1.3 eV or 10%) for the (111) surface as compared to the bulk.
Out-of-plane transport of 1T-TaS2/graphene-based van der Waals heterostructures
2021
Due to their anisotropy, layered materials are excellent candidates for studying the interplay between the in-plane and out-of-plane entanglement in strongly correlated systems. A relevant example is provided by 1T-TaS2, which exhibits a multifaceted electronic and magnetic scenario due to the existence of several charge density wave (CDW) configurations. It includes quantum hidden phases, superconductivity and exotic quantum spin liquid (QSL) states, which are highly dependent on the out-of-plane stacking of the CDW. In this system, the interlayer stacking of the CDW is crucial for the interpretation of the underlying electronic and magnetic phase diagram. Here, thin-layers of 1T-TaS2 are …