相关论文: Zinc in a +III oxidation state
Relaxations at nonpolar surfaces of III-V compounds result from a competition between dehybridization and charge transfer. First principles calculations for the (110) and (10$\bar{1}$0) faces of zincblende and wurtzite AlN, GaN and InN…
It has been suggested that hydrogen may metallise at lower pressures if it is ``precompressed''. Here we introduce a search strategy for predicting high-pressure structures and apply it to silane using first-principles electronic structure…
We present a comprehensive study of the energetics and magnetic properties of ZnO clusters doped with 3d transition metals (TM) using ab initio density functional calculations in the framework of generalized gradient approximation + Hubbard…
Previous work on the physical content of exchange correlation functionals that depend on both charge and spin densities is extended to elemental transition metals and a wider range of perovskite transition metal oxides. A comparison of…
A large number of R-matrix calculations of electron impact excitation for heavy elements (Z > 70) have been performed in recent years for applications in fusion and astrophysics research. With the expanding interest in heavy ions due to…
The chemical states of Ni, Zn, and W in microcrystalline NiWO$_4$-ZnWO$_4$ solid solutions were studied by X-ray photoelectron spectroscopy. The recorded spectra of the Ni 2p, Zn 2p, and W 4f photoelectron lines and Ni…
It is known that a higher concentration of free carriers leads to a higher oxide growth rate in the thermal oxidation of silicon. However, the role of electrons and holes in oxidation chemistry is not clear. Here, we report real-time…
We present chemical abundance measurements from high-resolution observations of 5 sub-damped Lyman-alpha absorbers at 1.7 < z < 2.4 observed with the Magellan Inamori Kyocera Echelle (MIKE) spectrograph on the 6.5-m Magellan II Clay…
We analyzed the evolution of the metallicity of the gas with the redshift for a sample of AGNs in a very wide redshift range (0<z<4) using ultraviolet emission-lines from the narrow-line regions (NLRs) and photoionization models. The new…
The hydrogen entry behavior of a partially Zn-coated steel sheet in NaCl solutions was investigated employing a polyaniline-based hydrogenochromic sensor, electrochemical hydrogen permeation tests, and potential measurements using a…
We conducted observations of multiple HC3N (J = 10-9, 12-11, and 16-15) lines and the N2H+ (J = 1-0) line toward a large sample of 61 ultracompact (UC) H II regions, through the Institutde Radioastronomie Millmetrique 30 m and the Arizona…
Based on the many-body theory of metals in the third order of the perturbation expansion in electron-ion interaction pseudopotential, the potentials of pair and three-ion interactions are calculated in liquid lead, aluminium and beryllium…
In this present investigation, we discussed the synthesis, microstructure, and hydrogen storage behavior intermetallic Laves phase in a hexanal TiVZrMnCoFe high entropy alloy. In this HEA, three elements are hydride-forming elements and the…
Using Voigt-profile-fitting procedures on Keck HIRES spectra of nine QSOs we identify 1099 CIV absorber components clumped in 201 systems outside the Lyman forest over 1.6 < z < 4.4. With associated SiIV, CII, SiII and NV where available we…
Effects of steel alloying elements on the formation of the surface oxide layer of hot-dip galvanized press hardened steel after austenitization annealing were examined with various advanced microscopy and spectroscopy techniques. The main…
We report first ab initio relativistic correlation calculations of potential curves for ten low-lying electronic states, effective electric field on the electron and hyperfine constants for the ^3\Delta_1 state of cation of a heavy…
In this work, the {\it ab initio} calculations have been carried out to study the oscillator strengths corresponding to `forbidden transitions' of astrophysically important electromagnetic transitions of singly ionized zinc, Zn II. Many…
A possibility of high, room-temperature superconductivity was predicted for metallic hydrogen in the 1960s. However, metallization and superconductivity of hydrogen are yet to be unambiguously demonstrated in the laboratory and may require…
The H3+ molecule has been detected in many lines of sight within the central molecular zone (CMZ) with exceptionally large column densities and unusual excitation properties compared to diffuse local clouds. The detection of the (3,3)…
Metal line ratios in a sample of 13 quasar spectra obtained with the HIRES spectrograph on the KeckI telescope have been analyzed to characterize the evolution of the metagalactic ionizing flux near a redshift of 3. The evolution of…