The electronic structure of fluorine-doped graphite nanoclusters is calculated by a semi-empirical quantum calculation. We find a local deformation of the graphite nanocluster upon fluorine doping resulting from a change in the electronic structure of the host carbon atoms from sp 2 to sp 3 ...
fluorinemathematicsmoleculesnumericalsTHIS communication describes the results of some very approximate calculations relating to the electronic structure of XeF 2 . The treatment is of the four electrons associated with a framework: F + Xe ++ F + . The various wave functions of the molecule which ...
In Fig. 2-2 the crystal structures of both Si and GaAs, the two most important semiconductors used in electronics, are depicted. Silicon has a diamond-cubic structure that is derived from the face-centered cubic lattice but with a two-atom motif per lattice point; this means that there ...
The electronic structure of beta-KS(0.25)C3 differs noticeably from that of the related ternary compound, KH(x)C4. The charge transfer is analyzed, and a way to evaluate it, which can be used in general for intercalated graphites, is proposed. The charge transfer per C atom in this ...
Ragni, Fluorinated Or- ganic Materials for Electronic and Optoelectronic Applications: The Role of the Fluorine Atom, Chem. Comm. 10, 2007, 1003.Babudri, F.; Farinola, G. M.; Naso, F.; Ragni, R. Fluorinated organic materials for electronic and optoelectronic applications: the role of the...
Depositing textured functional materials on transparent conducting oxides remains a challenge. We demonstrate the formation of a coherent interface between a set of functional oxides and fluorine-doped-tin-oxide-based transparent conducting oxide substrate despite the lattice mismatch, owing to dimensional ...
Owing to the abundance and low price of sodium, researches on sodium-ion batteries (SIBs) as a lithium-ion battery (LIB) alternative are emerging as a consensus. It is crucial to develop electrode materials suitable for sodium storage. In recent years, two-dimensional (2D) layered transition ...
ChemInform Abstract: Novel Fluorine‐Bridged Polyfluorinated Iodine Structures. Presence of Fluorine as the Central Atom in a Five‐Center, Six‐Electron Bond The reaction of tris(dialkylamino)sulfonium perfluoro-2-methyl-2-pentyl carbanion with perfluoro iodides (RfI) leads to novel structures of the...
The chemiluminescence of the cesium–fluorine reaction system has been analyzed spectroscopically to give steady‐state populations of the excited electronic states of the cesium atom. By correcting for cascade of excitation the primitive populations have been calculated, and these indicate a statistical ...
In the case of SinF, the electron migrates from the silicon cluster to the fluorine atom, which is reflected clearly in the photoelectron spectra of SinF−1 clusters. The similarity of the photoelectron spectra of Sin − 1C− and Sin− was attributed to the similarity of their ...