Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid

In this paper we report an X-ray emission study of bulk aqueous sulfuric acid. Throughout the range of molarities from 1 M to 18 M the sulfur K beta emission spectra from H2SO4 (aq) depend on the molar fractions and related deprotonation of H2SO4. We compare the experimental results with results from emission spectrum calculations based on atomic structures of single molecules and structures from ab initio molecular dynamics simulations. We show that the S K beta emission spectrum is a sensitive probe of the protonation state of the acid molecules. Using non-negative matrix factorization we are able to extract the fractions of different protonation states in the spectra, and the results are in good agreement with the simulation for the higher part of the concentration range.Peer reviewe

Організаційно-економічне забезпечення розвитку електронної промисловості

Розкрито питання організаційно-економічного забезпечення електронної промисловості в рамках організаційно-економічного механізму розвитку електронної промисловості на інноваційній основі, який регламентує діяльність державних, галузевих і підприємницьких структур, що забезпечують розвиток електронної промисловості. Ключові слова: електронна промисловість, організаційне забезпечення розвитку електронної промисловості, організаційно-економічний механізм, інноваційний розвиток.  Раскрываются вопросы организационно-экономического обеспечения электронной промышленности в рамках организационно-экономического механизма развития электронной промышленности на инновационной основе, который регламентирует деятельность государственных, отраслевых и предпринимательских структур, обеспечивающих развитие электронной промышленности. Ключевые слова: электронная промышленность, организационное обеспечение развития электронной промышленности, организационно-экономический механизм, инновационное развитие.  The paper deals with the issues of organizational and economic support of electronic industry in the framework of the organizational and economic mechanism of the above industry development on the basis of innovation. It regulates the activities of the government, sectoral and business organizations, which provide the development of the electronic industry. The proposalsare as follows: to work out a State Program of Development of the Electronic Industry, andto create a sectoral information system, a cluster “development of the electronic industry”, holding the electronic industry, a sectoral technology transfer system, training educational and scientific centres for the engineering staff. It is shown that at a corporate level the development of electronic industry is promoted by establishment of production facilities with the use of well-known brands and foreign electronic productions, technologies transfer with consideration of supply channels, introduction of business market mechanisms, IPC standards, and production information systems PDM/PLM. A specific feature of these measures is that to develop the issues of financial and economic, technical and technological, innovation and market support of the electronic industry development the methods of grouping, generalization of economic indicators received from the enterprises of this industry, and economic mathematical modelling using a correlation regression and structural logical analysis have been used. The application of these methods suggests that the use of the organizational and economic support contributes to promising development of the electronic industry in Ukraine which consists in formation of the core of the electronic industry and its integration in the world electronic space in the future. Keywords: electronic industry, organizational support of electronic industry development, organizational and economic mechanism, innovation-based development

Resonant Inelastic X‑ray Scattering of Molybdenum Oxides and Sulfides

Molybdenum oxides and sulfides were studied using resonant inelastic X-ray scattering (RIXS). The 2p_3/23d Mo RIXS planes show a rich structure with considerably more spectral information than in conventional X-ray absorption near edge structure (XANES) spectroscopy. The spectra were simulated using FEFF9 giving generally good agreement and detailed electronic information can be derived. The reference materials serve as a starting point for detailed electronic and geometric investigations of a broad range of compounds. In particular, this can provide insights in the properties and performance of unknown and changing materials like those in catalysis