It supports efficient multipole expansions for precise electrostatic potentials and aligns with electronegativity trends for predictable electron transfers, especially for the lithiation and delithiation of the cathode used in the present work. DDEC6 stood out for its transferability across different ...
Thed-band model has been widely adopted to understand bond formation and trends in reactivity among the TMs and their alloys. The facet, alloying, defects, strain and so forth greatly impact thedstates and thus alter the reactivity [44,45]. In context of the OER, the free-energy descriptor...
If an atomic nucleus has a [{Blank}] pull (electronegativity/electron affinity) on electrons, it will have a(n) [{Blank}] ability to obtain its [{Blank}] number of electrons. a. weak; minimal; incorrect b. strong; minimal; proper c. strong; enhanced;... Which of the fo...
Only fluorine has higher electronegativity and is thus a stronger oxidizer.Besides the essential use to support life, oxygen has many other uses.It is used in the smelting process to free metals from their ores. It is particularly importantin the oxygen-converter process in the production of ...
electronegativityactivation energyreaction enthalpyExperimental data on the reaction of hydrogen atom abstraction from hydrocarbons, halogenated alkanes, and oxygen-containing compounds by oxygen atoms (50 reactions) are analyzed using the intersecting parabolas model. The influence of five...
The presence of negative ions in the sheath caused different dynamics in the power absorption of electrons, which in turn enhanced the local electronegativity and plasma density by ionization and attachment processes [142]. The ion flux to the grounded electrode (where the ion energy was lowest) ...
Chemical properties and reactions The large values of theelectronegativityand theelectron affinityof oxygen are typical of elements that show only nonmetallic behaviour. In all of its compounds, oxygen assumes a negativeoxidation stateas is expected from the two half-filled outer orbitals. When these ...
which is consistent with the tendency of electronegativity (Supplementary Table4)64, indicating that the increased number of unpaired electrons in metal atoms favors the charge transfer to the surrounding atoms. Moreover, the charges transferred to the coordinated N atoms from all 86 M2dimers are ...
many efforts have been made to explore the descriptors of Fe-N4ORR activity13,16,20,24,25,26. For example, the full width at half-maximum of C 1sphotoemission spectra13, d-band center20, and the electronegativity of the nearest neighbor atoms24, are considered to describe the ORR activity...
the cation size increases from Li+to Cs+, along with modifications of several parameters such as decreasing Lewis acidity and electronegativity13, increasing molar conductivity14and proton affinity15, and increasing basicity of the corresponding alkali hydroxide16. Small cations (Li+) generally form str...