Influence of structural and chemical properties on electron transport in mesoporous ZnO-based dye-sensitized solar cell

Ionics - Two chemical bath deposition (CBD) solutions were prepared at two different temperatures of 60 and 80 °C for dye-sensitized solar cell (DSSC) application. The deposition time...     

Transmission of the spin-spin coupling constants through hydrogen bonds in ammonia clusters

Spin-spin coupling constants are reported using six ab initio and fifteen DFT methods for dimers and larger clusters of ammonia. An analysis of components (Fermi contact, spin dipole, paramagnetic spin-orbit, and diamagnetic spin-orbit) of more relevant coupling constants ¹J_NH′, ^1hJ_NH′ and ^2hJ_NN has been carried out. Fermi contact is the dominant term in the total value for all constants. For dimers, a relationship between the addition of direct and intermolecular coupling constants gives the direct constants of monomer. From the comparison of all ab initio and DFT methods for dimers, SOPPA(CCSD) and S55VWN5 methods are, respectively, more reliable taking into account their accuracy and the computing time. Both methods are employed for the analysis of the transmission of coupling constants through the hydrogen bond for ammonia clusters. A linear relation between the intermolecular constants ^1hJ_NH′ and the length of the hydrogen bond is found.     

First-Order Intertwining Operators with Position Dependent Mass and <Emphasis Type="Italic">η</Emphasis>-Weak-Pseudo-Hermiticity Generators

A Hermitian and an anti-Hermitian first-order intertwining operators are introduced and a class of η-weak-pseudo-Hermitian position-dependent mass (PDM) Hamiltonians are constructed. A corresponding reference-target η-weak-pseudo-Hermitian PDM—Hamiltonians’ map is suggested. Some η-weak-pseudo-Hermitian -symmetric Scarf II and periodic-type models are used as illustrative examples. Energy-levels crossing and flown-away states phenomena are reported for the resulting Scarf II spectrum. Some of the corresponding η-weak-pseudo-Hermitian Scarf II- and periodic-type-isospectral models ( -symmetric and non- -symmetric) are given as products of the reference-target map.     

Theoretical study of the electronic structure of LiNa and LiNa<Superscript>+</Superscript> molecules

Adiabatic potential energy, spectroscopic constants, dipole moments, and vibrational levels of the lowest electronic states of the alkali dimer LiNa molecule dissociating into Na (3s, 3p, 4s, 3d, and 4p) + Li (2s, 2p, 3s, and 3p) in ^1,3Σ, ^1,3Π, and ^1,3Δ symmetries are presented. Adiabatic results are also reported for ²Σ, ²Π, and ²Δ electronic states of the molecular ion LiNa⁺ dissociating into Li (2s, 2p, 3s, and 3p) + Na⁺ and Li⁺  + Na(3s, 3p, 4s, 3d, and 4p). We use an ab initio approach involving a non-empirical pseudopotential for the Li (1s²) and Na (1s²2s²2p⁶) cores and core valence correlation correction. A very good agreement is obtained for some lowest states of the LiNa and LiNa⁺ molecules for spectroscopic constants with the available theoretical works. The existence of numerous avoided crossings between electronic states of ²Σ and ²Π symmetries is related to the charge transfer process between the two ionic systems Li⁺Na and LiNa⁺.     

Unconditionally Stable Complex Envelope Wave Equation PML Algorithm for Band Limited FDTD Simulations

Unconditionally stable complex envelope (CE) perfectly matched layer (PML) absorbing boundary conditions (ABCs) are presented for truncating the scalar wave-equation finite difference time domain (WE-FDTD) grids. The formulations are based on incorporating the alternating direction implicit (ADI) scheme into the CE FDTD implementations of the scalar wave-equation derived in the PML region at the domain boundaries. Numerical example carried out in two dimensional domain shows that the proposed formulations are more accurate than the classical ADI scalar wave equation PML formulations when it is used for modelling band limited electromagnetic applications.     

Hidden-gauge model and radiative decays

We consider the radiative decay widths in a hidden-gauge model. For calculating the decay widths we use the anomalousVVP Lagrangian.g _VVP is a function off _P due to the symmetry breaking effects. It is shown thatf _P is consistent with that obtained by the one-loop calculation. A reasonable agreement with the experimental decay widths is achieved.     

Unconditionally Stable Z-Transform ADI-PML Algorithm for Lorentzian Double Negative Meta-Materials

Unconditionally stable formulations of the anisotropic perfectly matched layer (APML) are presented for truncating double negative (DNG) meta-material finite difference time domain (FDTD) grids. In the proposed formulations, the Z-transform theory is employed in the alternating direction implicit FDTD (ADI-FDTD) scheme to obtain update equations for the field components in the DNG meta-material domains. Numerical examples carried out in one dimensional Lorentzian type DNG meta-material domains are included to show the validity of the proposed formulations.     

Detection of fentanyl in binary mixtures with cocaine by use of surface-enhanced Raman spectroscopy

Abstract

The ongoing epidemic pertaining to overdose deaths has been attributed to the synthetic opioid fentanyl due to its use as an adulterant in other, less potent drugs of abuse. Detection of low quantities of fentanyl would, therefore, be extremely useful in a forensic science laboratory. While Raman spectroscopy is particularly effective at distinguishing between classes of drugs, weak signatures can prove difficult when dealing with microscopic samples. Surface-enhanced Raman scattering spectroscopy provides the enhancement necessary to make Raman a viable approach for the detection of small amounts of fentanyl. This work explores the use of a paper-based substrate loaded with silver nanoparticles for the recovery of small quantities of fentanyl in cocaine, where it was identified at a lower limit of 500?ng (～65?ppm) in mixtures. Linear relationships were investigated between intensity and concentration for diagnostic peaks associated with fentanyl and cocaine, which in turn sheds light on the attenuation of the enhancement intensity as a result of competitive binding to silver nanoparticles. This work demonstrates a potentially simple and qualitative pathway for the forensic analysis of fentanyl as an adulterant in cocaine.     

Semiconductor Emitters in Entropy Sources for Quantum Random Number Generation

Random number generation (RNG) is needed for a myriad of applications ranging from secure communication encryption to numerical simulations to sports and games. However, generating truly random numbers can be elusive. Pseudorandom bit generation using computer algorithms provides a high random bit generation rate. Nevertheless, the reliance on predefined algorithms makes it deterministic and predictable once initial conditions are known. Relying on physical phenomena (such as measuring electrical noise or even rolling dice) can achieve a less predictable sequence of bits. Furthermore, if the physical phenomena originate from quantum effects, they can be truly random and completely unpredictable due to quantum indeterminacy. Traditionally, physical RNG is significantly slower than pseudorandom techniques. To meet the demand for high-speed RNG with perfect unpredictability, semiconductor light sources are adopted as parts of the sources of randomness, i.e., entropy sources, in quantum RNG (QRNG) systems. The high speed of their noise, the high efficiency, and the small scale of these devices make them ideal for chip-scale QRNG. Here, the applications and recent advances of QRNG are reviewed using semiconductor emitters. Finally, the performance of these emitters is compared and discuss their potential in future technologies.