Confidence intervals for posterior intercepts, with application to the PIAAC literacy survey.

For variance component models, it is often the posterior estimate of the random effect (‘posterior intercept’) rather than the estimate of the fixed effect parameters, which is of main interest. This is the case, for instance, when ranking region–wise mortality rates (where the crude, regional rates are unreliable due to small observed counts) or for the construction of educational league tables from complex sample surveys. However, in order to be able to decide whether two cluster–level units can actually be distinguished, it is clear that one needs a measure of variability of these posterior intercepts. We present an exploration of methods to address this issue which appears to be still undeveloped in the context of the model class considered

Clean and reproducible voltammetry of copper single crystals with prominent facet-specific features using induction annealing

Although copper is widely used as an electrocatalyst for the CO2 reduction reaction, often little emphasis is placed on identifying exactly the facet distribution of the copper surface. Furthermore, because of differing surface preparation methodologies, reported characaterization voltammograms (where applicable) often vary significantly between laboratories, even for surfaces of supposedly the same orientation. In this work, we describe a surface preparation methodology involving the combination of induction annealing and well-documented electrochemical steps, by which reproducible voltammetry for copper surfaces of different orientations can be obtained. Specifically, we investigated copper surfaces of the three principal orientations: {111}, {100} and {110}, and a representative polycrystalline surface. We compared these surfaces to surfaces reported in the literature prepared via either electropolishing or UHV-standard methodologies, where we find induction preparation to yield improvements in surface quality with respect to electropolished surfaces, though not quite as good as those obtained by UHV-preparation.Catalysis and Surface Chemistr

Reprint of "Electrocatalytic CO2 reduction to C2+ products on Cu and CuxZny electrodes: effects of chemical composition and surface morphology"

refers to​​​​​​​Alisson H.M. da Silva, Stefan J. Raaijman, Cássia S. Santana, José M. Assaf, Janaina F. Gomes, Marc T.M. KoperElectrocatalytic CO2 reduction to C2+ products on Cu and CuxZny electrodes: Effects of chemical composition and surface morphologyJournal of Electroanalytical Chemistry, Volume 880, 1 January 2021, Pages 114750The electrocatalytic CO2 reduction reaction (CO2RR) is a promising strategy for producing multi carbon compounds using only CO2 and H2O at room temperature. Significant advances have already been achieved in understanding how some characteristics of copper electrodes, the current state-of-the-art catalyst for multi carbon formation via CO2RR, affect the product spectrum. Advances and insights have been reported for, among others, the effect of crystallographic orientation, active surface area, and composition of M copper (M = Au, Ag, Zn, etc.) materials, and how these alter the distribution of CO2RR products. However, a systematic study evaluating the significance of these variables in the CO2RR to C2+ products is still lacking in the literature and represents an important step in the development of new materials with optimized properties that can be more selective to C2+ compounds. In this paper, we have systematically investigated the effect of the roughness factor, chemical composition, and surface morphology of CuxZny electrocatalysts on the product distribution during CO2RR. Firstly, Cu, Cu90Zn10, and Cu75Zn25 electrodes were exposed to oxidation-reduction cycles to produce Cu and CuxZny electrodes with different morphologies, roughness factors, and chemical composition. Our results show that an increase in the roughness factor and Zn content lead to higher faradaic efficiency (FE) to C2+ products. Furthermore, the influence of the nanoscale morphology is imperative for the production of C2+ compounds. Specifically, nanocubes of Cu and CuxZny presented the highest FE to C2+ products among the different surface morphologies studied in this work (polished flat surface, nanosheres, nanocubes, nanodendrites, and nanocauliflowers), showing that C-C coupling during CO2RR is mainly shape dependent.Catalysis and Surface Chemistr

Electrocatalytic CO2 reduction to C2+ products on Cu and CuxZny electrodes: effects of chemical composition and surface morphology

The electrocatalytic CO2 reduction reaction (CO2RR) is a promising strategy for producing multi-carbon compounds using only CO2 and H2O at room temperature. Significant advances have already been achieved in understanding how some characteristics of copper electrodes, the current state-of-the-art catalyst for multi-carbon formation via CO2RR, affect the product spectrum. Advances and insights have been reported for, among others, the effect of crystallographic orientation, active surface area, and composition of M-copper (M = Au, Ag, Zn, etc.) materials, and how these alter the distribution of CO2RR products. However, a systematic study evaluating the significance of these variables in the CO2RR to C2+ products is still lacking in the literature and represents an important step in the development of new materials with optimized properties that can be more selective to C2+ compounds. In this paper, we have systematically investigated the effect of the roughness factor, chemical composition, and surface morphology of CuxZny electrocatalysts on the product distribution during CO2RR. Firstly, Cu, Cu90Zn10, and Cu75Zn25 electrodes were exposed to oxidation-reduction cycles to produce Cu and CuxZny electrodes with different morphologies, roughness factors, and chemical composition. Our results show that an increase in the roughness factor and Zn content lead to higher faradaic efficiency (FE) to C2+ products. Furthermore, the influence of the nanoscale morphology is imperative for the production of C2+ compounds. Specifically, nanocubes of Cu and CuxZny presented the highest FE to C2+ products among the different surface morphologies studied in this work (polished flat surface, nanosheres, nanocubes, nanodendrites, and nanocauliflowers), showing that CC coupling during CO2RR is mainly shape dependent.Catalysis and Surface Chemistr

New exact solution of Dirac-Coulomb equation with exact boundary condition

It usually writes the boundary condition of the wave equation in the Coulomb field as a rough form without considering the size of the atomic nucleus. The rough expression brings on that the solutions of the Klein-Gordon equation and the Dirac equation with the Coulomb potential are divergent at the origin of the coordinates, also the virtual energies, when the nuclear charges number Z > 137, meaning the original solutions do not satisfy the conditions for determining solution. Any divergences of the wave functions also imply that the probability density of the meson or the electron would rapidly increase when they are closing to the atomic nucleus. What it predicts is not a truth that the atom in ground state would rapidly collapse to the neutron-like. We consider that the atomic nucleus has definite radius and write the exact boundary condition for the hydrogen and hydrogen-like atom, then newly solve the radial Dirac-Coulomb equation and obtain a new exact solution without any mathematical and physical difficulties. Unexpectedly, the K value constructed by Dirac is naturally written in the barrier width or the equivalent radius of the atomic nucleus in solving the Dirac equation with the exact boundary condition, and it is independent of the quantum energy. Without any divergent wave function and the virtual energies, we obtain a new formula of the energy levels that is different from the Dirac formula of the energy levels in the Coulomb field.Comment: 12 pages,no figure

Relativistic quantum dynamics of a charged particle in cosmic string spacetime in the presence of magnetic field and scalar potential

In this paper we analyze the relativistic quantum motion of charged spin-0 and spin-1/2 particles in the presence of a uniform magnetic field and scalar potentials in the cosmic string spacetime. In order to develop this analysis, we assume that the magnetic field is parallel to the string and the scalar potentials present a cylindrical symmetry with their center on the string. Two distinct configurations for the scalar potential, $S(r)$, are considered: $(i)$ the potential proportional to the inverse of the polar distance, i.e., $S\propto1/r$, and $(ii)$ the potential proportional to this distance, i.e., $S\propto r$. The energy spectra are explicitly computed for different physical situations and presented their dependences on the magnetic field strength and scalar coupling constants.Comment: New version with 20 pages and no figure. Some minor revisions and six references added. Accepted for publication in EJP

Portuguese Ministers, 1851-1999: Social Background and Paths to Power

Disponível em: http://193.136.113.6/Opac/Pages/Search/Results.aspx?SearchText=UID=bb8aa8d5-c6b6-466a-81bb-fe8a67693cee&DataBase=10449_UNLFCSHThis paper provides an empirical analysis of the impact of regime changes in the composition and patterns of recruitment of the Portuguese ministerial elite throughout the last 150 years. The ‘out-of-type’, violent nature of most regime transformations accounts for the purges in and the extensive replacements of the political personnel, namely of the uppermost officeholders. In the case of Cabinet members, such discontinuities did not imply, however, radical changes in their social profile. Although there were some significant variations, a series of salient characteristics have persisted over time. The typical Portuguese minister is a male in his midforties, of middle-class origin and predominantly urban-born, highly educated and with a state servant background. The two main occupational contingents have been university professors - except for the First Republic (1910-26) - and the military, the latter having only recently been eclipsed with the consolidation of contemporary democracy. As regards career pathways, the most striking feature is the secular trend for the declining role of parliamentary experience, which the democratic regime did not clearly reverse. In this period, a technocratic background rather than political experience has been indeed the privileged credential for a significant proportion of minister

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind, i.e., to provide a unique framework that allows us to describe non-equilibrium phenomena in molecular complexes, low dimensional materials, and extended systems by accounting for electronic, ionic, and photon quantum mechanical effects within a generalized time-dependent density functional theory. This article aims to present the new features that have been implemented over the last few years, including technical developments related to performance and massive parallelism. We also describe the major theoretical developments to address ultrafast light-driven processes, such as the new theoretical framework of quantum electrodynamics density-functional formalism for the description of novel light-matter hybrid states. Those advances, and others being released soon as part of the Octopus package, will allow the scientific community to simulate and characterize spatial and time-resolved spectroscopies, ultrafast phenomena in molecules and materials, and new emergent states of matter (quantum electrodynamical-materials)