The objective of this article is to show how experimental discoveries in atomic physics are logically connected, and we land up with the consistent theoretical explanation to the structure and stability of the atom. It is also shown that Bohr's correspondence principle and Erhenfest's adiabatic ...
We consider a system consisting of an atom in the approximation of a harmonic oscillator of frequency ωbar, coupled to the scalar potential inside a spherical reflecting cavity of radius R. We use dressed states introduced in a previous publication [Andion, Malbouisson, and Mattos Neto, J. ...
In this work, we aim to update the understanding of how impurity or promoter metals segregate on metal surfaces, particularly in the application of single-atom alloys (SAA) for catalysis. Using density functional theory, we calculated the relative stability of the idealized SAA relative to subsurfa...
Overall, μ0Ms is mainly affected by the magnetic moments of the M atom and its neighboring Fe atoms, as addressed explicitly in Table 2. Figure 3c shows the computed Ku of SmFe10M2 (M = Ti − Ga and Al). We recall from ref. 24 that the Ku values of SmFe12 are 12...
We can also explain the growth correlation in QD stacks: Our calculated potential-energy surfaces of free-standing QD's in different lateral positions above overgrown QD's show an energy gain of about 20 meV per In atom for the experimentally observed vertical QD alignment. 展开 ...
Different 2D and quasi-2D perovskite materials have demonstrated significant improvements in the device stability compared to 3D perovskites due to their increased hydrophobicity and suppressed ion migration. However, fundamental investigations of these
Nonlinear Optical Activity and High Thermal Stability of a New 3DOpen-Framework with Interconnected 24-, 16-, and 8-Atom Channels: (NH4)Zn[O3PCH(OH)CO2] Hydrothermal reaction of hydroxy(phosphono)acetic acid, H2O3PCH(OH)CO2H, with zinc( II ) acetate resulted in a new ammonium zinc hydro...
Density functional theory B3PW91/6-31+G* calculations on BenCm (n = 1−10; m = 1, 2, ..., to 11 − n) clusters have been carried out to examine the effect of cluster size, relative composition, binding energy per atom, HOMO−LUMO gap, vertical ionization potential, and electro...
Human noroviruses (HuNoVs) cause sporadic and epidemic viral gastroenteritis worldwide. The GII.4 variants are responsible for most HuNoV infections, and GII.4 virus-like particles (VLPs) are being used in vaccine development. The atomic structure of the
et al. Effects of a heavy atom on molecular order and morphology in conjugated polymer:fullerene photovoltaic blend thin films and devices. ACS Nano 6, 9646–9656 (2012). Article CAS Google Scholar Holliday, S. et al. High-efficiency and air-stable P3HT-based polymer solar cells with a ...