Search results for "Ode"
showing 10 items of 40424 documents
Deposition of binder-free oxygen-vacancies NiCo2O4 based films with hollow microspheres via solution precursor thermal spray for supercapacitors
2019
Abstract Hollow micro-/nanostructures and oxygen vacancies are highly desirable for supercapacitors due to high active surface area and outstanding electrochemical properties. In order to benefiting from the both effect, binder-free oxygen-vacancies NiCo2O4 based films with hollow microspheres were pioneering directly deposited via one kind thermal spray technology, named solution precursor thermal spray (SPTS) process. To our best knowledge, the rapid one-step SPTS route was firstly employed to synthesize and deposit NiCo2O4 films for supercapacitor applications. The CV data clearly demonstrated that the specific capacitances of more oxygen-deficient NiCo2O4 electrodes with hollow microsph…
ZnMgO-based UV photodiodes: a comparison of films grown by spray pyrolysis and MBE
2016
Detecting the UV part of the spectrum is fundamental for a wide range of applications where ZnMgO has the potential to play a central role. The shortest achievable wavelength is a function of the Mg content in the films, which in turn is dependent on the growth technique. Moreover, increasing Mg contents lead to an electrical compensation of the films, which directly affects the responsivity of the photodetectors. In addition, the metal-semiconductor interface and the presence of grain boundaries have a direct impact on the responsivity through different gain mechanisms. In this work, we review the development of ZnMgO UV Schottky photodiodes using molecular beam epitaxy and spray pyrolysis…
Parametric Models for Predicting the Performance of Wind Turbines
2020
Abstract Performances of eight parametric power curve models for wind turbines, which can be used for the planning and management of wind energy projects, are compared in this study. Initially, the manufacturer’s power curves of four wind turbines are compared with their field performances. Then, the parametric models are developed for these turbines which are tested with their site performances. Out of the models, WERA showed the best performance in case of all the turbines. Finally, a method for using WERA in extrapolating the performance of turbines with limited test data is demonstrated with the case of a 1 kW turbine.
The ensemble switch method and related approaches to obtain interfacial free energies between coexisting phases from simulations: a brief review
2015
The accurate estimation of the excess free energy due to an interface between coexisting phases of a model system by computer simulation often is a challenging task. We review here two methods, whi...
Nonlinear response theory for Markov processes II: Fifth-order response functions
2017
The nonlinear response of stochastic models obeying a master equation is calculated up to fifth-order in the external field thus extending the third-order results obtained earlier (G. Diezemann, Phys. Rev. E{\bf 85}, 051502 (2012)). For sinusoidal fields the $5\om$-component of the susceptibility is computed for the model of dipole reorientations in an asymmetric double well potential and for a trap model with a Gaussian density of states. For most realizations of the models a hump is found in the higher-order susceptibilities. In particular, for the asymmetric double well potential model there are two characteristic temperature regimes showing the occurence of such a hump as compared to a …
Carbonyl compounds of Tc, Re, and Bh: Electronic structure, bonding, and volatility.
2018
Calculations of molecular properties of M(CO)5 and MH(CO)5, where M = Tc, Re, and Bh, and of the products of their decomposition, M(CO)4 and MH(CO)4, were performed using density functional theory and coupled-cluster methods implemented in the relativistic program suits such as ADF, DIRAC, and ReSpect. The calculated first M—CO bond dissociation energies (FBDEs) of Bh(CO)5 and BhH(CO)5 turned out to be significantly weaker than those of the corresponding Re homologs. The reason for that is the relativistic destabilization and expansion of the 6d AOs, responsible for weaker σ-forth and π-back donations in the Bh compounds. The relativistic FBDEs of M(CO)5 have, therefore, a Λ-shape behavior …
Pressure‐induced widths and shifts for the ν3 band of methane
1994
International audience; Widths and shifts of methane lines perturbed by nitrogen are calculated using a complex-valued implementation of Robert-Bonamy (RB) theory. The static intermolecular potential is described as a sum of electrostatic forces and Lennard-Jones (6-12) atom-atom terms, using literature values for all physical parameters. Vibrational dependence of the isotropic potential is obtained from the polarizability of methane assuming a dispersion interaction. The repulsive part of the Lennard-Jones accounts for the greatest part of widths, while dispersion interactions are largely responsible for shifts. Although the average error between calculated and observed linewidths (up to J…
Model building on the non-factorisable type IIA T6/(Z4×ΩR) orientifold
2016
We construct global semi-realistic supersymmetric models with intersecting D6-branes on the non-factorisable orientifold . The non-factorisable structure gives rise to differences compared to the factorisable case: additional conditions for the three-cycles to be Lagrangian and extra constraints on the wrapping numbers for building fractional cycles.
A solvent-directed stereoselective and electrocatalytic synthesis of diisoeugenol.
2018
A stereoselective and electrocatalytic coupling reaction of isoeugenol has been reported for the first time in a 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP)/boron-doped diamond (BDD) electrode system. This particular C-C bond formation and diastereoselectivity is driven by a solvate interaction between the radical species and another isoeugenol molecule. Due to an electrocatalytic cycle, only understoichiometric amounts of charge are necessary. Since electric current is directly employed as the oxidant, the reaction is metal and reagent-free. In addition, the electrolysis can be conducted in a very simple undivided beaker-type cell under constant current conditions. Therefore, the protocol is …
Thorough evaluation of OECD principles in modelling of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine derivatives using QSARINS.
2020
The human immunodeficiency virus is a lethal pathology considered as a worldwide problem. The search for new strategies for the treatment of this disease continues to be a great challenge in the scientific community. In this study, a series of 107 derivatives of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine, previously evaluated experimentally against HIV-I reverse transcriptase, was used to model antiretroviral activity. A model of linear regression, implemented in the QSARINS software, was developed with a genetic algorithm for variable selection. The fit of its parameters was good and exhaustive validation, according to the OECD regulatory principles, was performed. Also, the applica…