Electron-configuration stabilized (W,Al)B2 solid solutionsThin filmsBoridesSputteringVacanciesDensity functional theoryBy combining experimental and theoretical methods, we have conducted a detailed study of the ternary diboride system (W1 xAlx)1-yB2(1-z). Tungsten rich solid solutions of (W1 xAlx)...
Answer to: Write the electron configuration for each of the following (do not use noble gas configuration). a. Ni+2 b. Al+3 c. Zn By signing up,...
Electronic structure of AlO2, AlO2-, Al3O5, and Al3O5- clusters Density functional, quadratic configuration interaction, and electron propagator calculations have yielded structures, isomerization energies, and anion ve... A Martinez,FJ Tenorio,JV Ortiz - 《Cheminform》 被引量: 79发表: 2002年 ...
We have computed the optimized geometries and energy separations for the electronic states of Al3As2, Al2As3, and their positive and negative ions using complete active-space MCSCF (CASSCF) followed by multireference singles + doubles configuration interaction (MRSDCI) calculations which included u...
Working towards a reliable grid of atomic lifetime data on 3s3pground configuration levels of Al-, Si-, P-, and S-like ions of iron group elements, measurements on electric-dipole forbidden decays in ions of Cl, Ti, Mn, Cu, and Ge have been done at a heavy-ion storage ring that co...
Energy values, determined from the observed combinations were compared with values obtained from multiconfiguration Dirac-Fock calculations. Fitted energy levels of 3pand 3s3p3d are also presented for elements between Cu and Rb. 展开 DOI: 10.1088/0031-8949/44/6/005 ...
In addition, we also calculated the atomic Mulliken population to check the information about electron trans- fers along the interface. For the six Nb/Al2O3(1120) coherent structures, we focused on the difference of Mulliken population of oxygen atoms (∆m(O)) that are near the interface,...
In the present study, we propose an improvement of the anode configuration in Zinc Oxide based Dye Sensitized Solar Cells (DSSC). Instead of the classical configuration, which is composed by two different metal oxides: one transparent conducting oxide (T
2.2.3. DIC using ARAMIS ARAMIS digital speckle is a non-contact measurement system that is capable of measuring the three-dimensional deformation of the specimen using the natural light or white light. ARAMIS can identify the surface of the tested specimen using the camera images where different ...
S3). The narrow emission peaks from 600 to 670 nm can be observed from Mn4+, where the Mn4+ ions (d3 electron configuration) experience a strong crystal field in the MnF6 octahedral site. According to the Tanabe–Sugano energy level diagram (Fig. 2(c)), the energy level 2Eg becomes...