Search results for " SEM"

Tumori del testicolo

2013

Infrared study of the MoO3 doping efficiency in 4,4′-bis(N-carbazolyl)-1,1′-biphenyl (CBP)

2013

AbstractElectrochemical doping produces clear changes in the vibrational spectra of organic semiconductors as we show here for the system molybdenum oxide (MoO3) doped into the charge transport material 4,4′-bis(N-carbazolyl)-1,1′-biphenyl (CBP). Based on density-functional theory (DFT) calculations of vibrational spectra, the new spectral features can be attributed to the CBP cation that forms as a result of electron transfer from CBP to MoO3. The intensity of the new vibrational lines is a direct measure for the probability of charge transfer. MoO3 agglomerating within the CBP matrix limits the active interface area between the two species. The appearance of a broad electronic transition …

Incomplete Charge Collection at Inter-Pixel Gap in Low- and High-Flux Cadmium Zinc Telluride Pixel Detectors.

2022

The success of cadmium zinc telluride (CZT) detectors in room-temperature spectroscopic X-ray imaging is now widely accepted. The most common CZT detectors are characterized by enhanced-charge transport properties of electrons, with mobility-lifetime products μeτe > 10−2 cm2/V and μhτh > 10−5 cm2/V. These materials, typically termed low-flux LF-CZT, are successfully used for thick electron-sensing detectors and in low-flux conditions. Recently, new CZT materials with hole mobility-lifetime product enhancements (μhτh > 10−4 cm2/V and μeτe > 10−3 cm2/V) have been fabricated for high-flux measurements (high-flux HF-CZT detectors).…

Nature-Inspired Effects of Naturally Occurring Trace Element-Doped Hydroxyapatite Combined with Surface Interactions of Mineral-Apatite Single Crysta…

2022

Innovative engineering design for biologically active hydroxyapatites requires enhancing both mechanical and physical properties, along with biocompatibility, by doping with appropriate chemical elements. Herein, the purpose of this investigation was to evaluate and elucidate the model of naturally occurring hydroxyapatite and the effects of doped trace elements on the function of normal human fibroblasts, representing the main cells of connective tissues. The substrates applied (geological apatites with hexagonal prismatic crystal habit originated from Slyudyanka, Lake Baikal, Russia (GAp) and from Imilchil, The Atlas Mountains, Morocco (YAp)) were prepared from mineral natural apatite wit…

Revised Atomistic Models of the Crystal Structure of C–S–H with high C/S Ratio

2016

Abstract The atomic structure of calcium-silicate-hydrate (C1.67–S–H x ) has been studied. Atomistic C–S–H models suggested in our previous study have been revised in order to perform a direct comparison of energetic stability of the different structures. An extensive set of periodic structures of C–S–H with variation of water content was created, and then optimized using molecular dynamics with reactive force field ReaxFF and quantum chemical semiempirical method PM6. All models show organization of water molecules inside the structure of C–S–H. The new geometries of C–S–H, reported in this paper, show lower relative energy with respect to the geometries from the original definition of C–S…

2017

The adsorption of molecular acceptors is a viable method for tuning the work function of metal electrodes. This, in turn, enables adjusting charge injection barriers between the electrode and organic semiconductors. Here, we demonstrate the potential of pyrene-tetraone (PyT) and its derivatives dibromopyrene-tetraone (Br-PyT) and dinitropyrene-tetraone (NO2-PyT) for modifying the electronic properties of Au(111) and Ag(111) surfaces. The systems are investigated by complementary theoretical and experimental approaches, including photoelectron spectroscopy, the X-ray standing wave technique, and density functional theory simulations. For some of the investigated interfaces the trends expecte…

Modelling of thermo-chemical properties over the sub-solidus MgO–FeO binary, as a function of iron spin configuration, composition and temperature

2014

Thermo-chemical properties and T–X phase relations diagram of the (Mg,Fe)O solid solution are modelled using mixing Helmholtz energy, ΔF(T,x)mixing, calculated by quantum mechanical and semi-empirical techniques. The sub-solidus MgO–FeO binary has been explored as a function of composition, with iron either in high-spin (HS) or low-spin (LS) configuration. Only the HS model provides physically sound results at room pressure, yielding a correct trend of cell edge versus composition, whereas LS’s issues are at variance with observations. Mixing Helmholtz energy has been parametrized by the following relationship: ΔF(T,x)mixing = x × y × [U0(T) + U1(T) × (x – y) + U2(T) × (x − y)2]−T × S(x,y)c…

Strategies to decrease water drainage and nitrate emission from soilless cultures of greenhouse tomato

2010

In the spring-summer season of 2005 and 2006, we explored the influence of three fertigation strategies (A–C) on the water and nitrogen use efficiency of semi-closed rockwool culture of greenhouse tomato conducted using saline water (NaCl concentration of 9.5 mol m−3). The strategies under comparison were the following: (A) crop water uptake was compensated by refilling the mixing tank with nutrient solution at full strength (with the concentrations of macronutrients equal or close to the corresponding mean uptake concentrations as determined in previous studies) and the recirculating nutrient solution was flushed out whenever its electrical conductivity (EC) surpassed 4.5 dS m−1 due to the…

Ab initio modeling of excitonic and charge-transfer states in organic semiconductors: the PTB1/PCBM low band gap system.

2013

A detailed quantum chemical simulation of the excitonic and charge-transfer (CT) states of a bulk heterojunction model containing poly(thieno[3,4-b]thiophene benzodithiophene) (PTB1)/[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) is reported. The largest molecular model contains two stacked PTB1 trimer chains interacting with C60 positioned on top of and lateral to the (PTB1)3 stack. The calculations were performed using the algebraic diagrammatic construction method to second order (ADC(2)). One main result of the calculations is that the CT states are located below the bright inter-chain excitonic state, directly accessible via internal conversion processes. The other important aspects…

Nonlinear chiral transport in Dirac semimetals

2018

We study the current of chiral charge density in a Dirac semimetal with two Dirac points in momentum space, subjected to an externally applied time dependent electric field and in the presence of a magnetic field. Based on the kinetic equation approach, we find contributions to the chiral charge current, that are proportional to the second power of the electric field and to the first and second powers of the magnetic field, describing the interplay of the chiral anomaly and the drift motion of electrons moving under the action of electric and magnetic fields.