Superalkalis are clusters or molecules featuring lower ionization energies (IEs) than that of
cesium atoms, and thus exhibit excellent reducing properties. Such special species have …

Electrides are ionic substances in which the anionic species is stoichiometrically replaced
with localized electrons that reside within crystal voids. Originally discovered in 1983, the …

Alkali metals have the lowest ionization potentials of all the elements in the periodic table,
and their hydroxides are the strongest bases existing in the neutral form. So-called …

The ability of the superalkali Li3F2 to reduce (electron transfer) carbon dioxide (CO2) is
presented. The CBS-QB3 composite method is employed to obtain reliable information on …

It has recently been demonstrated that oriented external electric fields (OEEFs) can serve as
future smart reagents and effectors in chemistry. Consequently, the effect of OEEFs on the …

Superalkalis are unusual species having ionization energies lower than that of the alkali
metals. These species with various applications are of great importance in chemistry due to …

The potential application of the jellium model as guidance in the rational design of bimetallic
superalkali cations is examined under gradient‐corrected density functional theory for the …

Hyperlithiated clusters are known for their unusual bonding characteristics and lower
ionization potentials. This study reports nonlinear optical (NLO) properties of a series of …

Alkalides possess enhanced nonlinear optical (NLO) responses due to localization of
excess electrons on alkali metals. Employing MP2/6‐311+ G (d) level, we design novel …

Alkalides are compounds possessing anionic alkali metals (Li−, Na−, K−, etc.). We have
predicted a new class of inorganic alkalides by sandwiching alkali atoms between Li 2 F …