RegisterLog in Sign up with one click: Facebook Twitter Google Share on Facebook slatelike (ˈsleɪtˌlaɪk) adj (Mining & Quarrying) resembling slate Collins English Dictionary – Complete and Unabridged, 12th Edition 2014 © HarperCollins Publishers 1991, 1994, 1998, 2000, 2003, ...
2. From the posterior means of model parameters, we can see that the orbital coupling coefficient β of pxy (1.67 eV−1) is smaller than that of pz (1.77 eV−1), consistent with the symmetry analysis, that the pxy orbitals that are parallel to a surface form π bonds with the...
To ensure that our MO approach appropriately captures the binding of adsorbates on SAAs (position of the orbitals and population), we further analysed the electronic structure of H (Fig.2c,e,g) and N (Fig.2d,f,h) adsorbed on Ag-based SAAs. When constructing MO diagrams, we are intereste...
where P(ri) is the value of P at the grid point ri, and dx, dy, and dz are the grid step sizes in the x, y, and z directions, respectively (dx = dy = dz = 0.025 a0). The summation is carried out on all grid points ri having RDG < s. The ρ(r), the H(r), and th...
The band structure shows three confined 2DEG sub-bands arising from the 𝑡2𝑔t2g orbitals and a “ladder” of states with a bulk-like character above the Fermi level due to the finite size of the supercell. The second sub-band was predicted to be just below the Fermi energy, in ...
The stability of AuCu, Au2Cu, AuCu2, Au2Cu2, and Au3Cu clusters on the CeO2(110) surface is related to the favourable interaction between theAu and Cu d-orbitals of the clusters with theO p-orbitals on the CeO2(110) surface. On the most stable AuCu/CeO2(110) systems, two surface...
Starting from that distance, we move inward repeatedly, using the electronic wave function of the previous step as a starting guess, and ensuring that the orbitals are not modified strongly. This procedure allows to preserve the character of the two states over the entire O2–cluster distance ...
(3d8,t2g6eg2) are over-occupied. Meanwhile, the spin state is determined by the difference between the Hund exchange energy ΔEXand crystal field splitting energy ΔCF. If ΔEX > ΔCF,delectrons prefer to occupy the high-energyegorbitals rather than pair att2gorbitals; whereas, if ...
Head with brownish eyes; palpi and proboscis usually bristled; checks prominent, distinctly more than half the eye height; ocellar bristle small and greatly separated; fronto-orbitals undeveloped. Antennae short. Wings iridescent, halteres pale yellow in color. Scutum with three distinct rows of ...
Step 3: Analyze Screening Effect- The screening effect increases down the group due to the presence of inner d and f orbitals, which shield the nucleus from the outer electrons. This results in a decrease in effective nuclear charge felt by the valence electrons. ...