It is suggested that this formula can be used to determine the enhancement factors for positron annihilation with core electrons of atoms across the periodic table, and with the localized atomic-like core electrons of condensed matter systems.D. G. Green...
Eight parameters were selected as descriptors for the decision tree: 1) valence of the cation, 2) group and 3) period in the periodic table, coordination number of the 4) anion and 5) cation, and the number of 6) s, 7) p, and 8) d electrons of the cation in the valence and sem...
the model suggests that the mean atomic weight could be reduced by up to 1.74% or the temperature could be increased by up to 400 K relative to an adiabatic profile, or there could be 8% fewer valence electrons in the liquid.
Even today, in spite of the development of fast computers and new efficient methods, the complexity of molecular calculations is rapidly increasing with the number of electrons. Quantum mechanical calculations on molecules containing first- and second-row atoms are now a routine task. The third-row...
Here frictional effects due to interactions with phonons and electrons are neglected as these are significant only at high dislocation velocities. The intrinsic friction is periodic with the lattice potential, and the stress to overcome it at absolute zero is known as the Peierls stress and the ...
The hard sphere model for liquids attempts to capture the physical behavior of a real liquid in a simple conceptual model: a fluid of fixed size spheres that only interact repulsively when they come into contact. Is the model good enough to use for model
For the earlier transition metals, it is found that the core electrons are more bound at the surface than in the bulk, while for the heavier ones the opposite situation exists. This change of sign of the surface shift depends on the bonding-antibonding division of the d band. To illustrate...
Free electrons to molecular bonds and back: closing the energetic oxygen reduction (ORR)–oxygen evolution (OER) cycle using core–shell nanoelectrocatalysts. Acc. Chem. Res. 49, 2658–2668 (2016). Article CAS Google Scholar Ravel, B. & Newville, M. ATHENA, ARTEMIS, HEPHAESTUS: data ...
Perovskite is known for its susceptibility to decomposition and its corrosive nature. Additionally, when sunlight interacts with the free electrons in metallic nanoparticles, those electrons that do not participate in the absorption process and remain on the nanoparticle surface contribute to heating the ...
The figure clearly demonstrates that the introduction of TiN NPs into the active layer significantly enhances the generation of electrons, thereby improving the overall performance of the OSCs. This observation highlights the positive impact of incorporating TiN nanoparticles on the efficiency and ...