Theoretical Insights into Effect of Surface Composition of Pt-Ru Bimetallic Catalysts on CH3OH Oxidation: Mechanistic Considerations

A deeper mechanistic understanding on CH3OH oxidation on Pt-Ru alloys with different Ru surface compositions is provided by DFT-based theoretical studies in this paper. The present results show that alloying and surface compositions of Ru can change CH3OH oxidation pathway and activity. The optimal surface composition of Ru is speculated to be ca. 50% since the higher Ru surface composition can lead to formation of carbonaceous species that can poison surface. Our present calculated Ru surface composition of ca. 50% exhibits excellent consistency with experimental studies. The origin of enhanced catalytic activity of Pt-Ru alloys is determined. The significantly decreased surface work functions after alloying suggest more electrons are transferred into adsorbates. The calculated lower electrode potentials after alloying imply that lower overpotentials are required for CH3OH oxidation. The excellent inconsistency with experimental study on decreased onset potentials after alloying further confirms accuracy of our present calculated results.

Comparison of Indonesian Population Information System Service Performace Based On Information System Functional Scorecard Theory

The Balikpapan Population and Civil Registration Office has implemented service automation by using an information system to support the population and civil registration administration services in Balikpapan, Indonesia. The information system implemented is called The Population Administration Information System (SIAK). The office has previously implemented an information system similar to SIAK, namely the Population Administration Organizing System (SPAK). One of the office aims is to improve the quality of SIAK. SIAK quality is improved in order to achieve optimal service. As a step of achieving vision and mission, implementing work functions and optimizing the utilization of information systems, the comparison of information system performance between information systems that have been used with information systems that have previously been used. The guidelines used in assessing the performance of both systems are Information System Functional Scorecard (ISFS) theory. The data collected by questionnaires then conducted Paired-T Test so that the results of the two systems were obtained differences and can be compared to know which system is superior. SIAK is an information system that is declared superior to SPAK. Furthermore, the comparison results become a reference in providing recommendations for SIAK performance improvement based on the performance comparison results with SPAK.

A First-Principles Study of Gas Molecule Adsorption on Carbon-, Nitrogen-, and Oxygen-Doped Two-Dimensional Borophene

A first-principles study was performed to investigate the adsorption properties of gas molecules (CO, CO2, NO, and NO2) on carbon- (C-), nitrogen- (N-), and oxygen-doped (O) borophene. The adsorption energies, adsorption configurations, Mulliken charge population, surface work functions, and density of states (DOS) of the most stable doped borophene/gas-molecule configurations were calculated, and the interaction mechanisms between the gas molecules and the doped borophene were further analyzed. The results indicated that most of the gas molecules exhibited strong chemisorption at the VB site (the center of valley bottom B–B bond) of the doped borophene (compared to pristine borophene). Electronic property analysis of the C-doped borophene/CO2 and the NO2 adsorption system revealed that there were numerous charge transfers from the C-doped borophene to the CO2 and NO2 molecules. This indicated that C-doped borophene was an electron donor, and the CO2 and NO2 molecules served as electron acceptors. In contrast to variations in the adsorption energies, electronic properties, and surface work functions of the different gas, C-, N-, and O-doped borophene adsorption systems, we concluded that the C-, N-, and O-doped borophene materials will improve the sensitivity of CO, CO2, and NO2 molecule; this improvement of adsorption properties indicated that C-, N-, and O-doped borophene materials are excellent candidates for surface work functions transistor to detect gas molecules.

LA PERSPECTIVA DE GÉNERO Y LA EDUCACIÓN DE LOS PROFESIONALES. CASO CARRERA DE SECRETARIADO EJECUTIVO

The main problem that is manifested in this research is the evidence that even in the fields of professional development of individuals, the thought is maintained that some careers and work functions should only be developed by women and others are exclusively for men. These stereotypes have been expressed in a general way in professions such as the executive secretary, which has been a manifestation of the gender inequality that still prevails. This study had a qualitative approach, considering as historical-logical methods that allowed us to understand the dynamics of the conception of the career of Executive Secretariat in its historical evolution; the documentary-bibliographic, for the compilation of previous investigations; analysis and synthesis throughout the investigative and inductive-deductive process, to analyze in detail the general elements through the determination of the analysis indicators. The professionals of the ULEAM Executive Secretariat Career, from the cohorts (1975-1979; 2019 (1) and 2019 (2) are taken as an empirical reference. The results of the current behavior of this profession do not show greater evolution in Regarding gender equality, since the number of graduates is still very small in relation to the number of graduates; and in general, 100% of the interviewees highlighted that they have felt uncomfortable in the processes of insertion and job performance, due to gender stereotypes assigned to this profession .

Solid-state electronegativity of atoms: new approaches

Electronegativities (EN) of 65 elements (H to Bi, except lanthanides and noble gases, plus U and Th) in solids were derived from various observed parameters, namely, bond energies in solids, structural geometry, work functions and force constants, yielding a set of internally consistent values. The solid-state electronegativities are generally lower than the conventional (`molecular') values, due to different coordination numbers and electronic structure in a solid versus a molecule; the decrease is stronger for metals than for non-metals, hence binary compounds have a wider EN difference and higher bond polarity (ionicity) in the solid than in the molecular (gaseous) state. Under high pressure, the ENs of metals increase and those of non-metals decrease, the binary solid becomes less polar and can ultimately dissociate into elements.