Fluorine (atomic number 9) has only one 2p orbital containing an unpaired electron. All of the electrons in the noble gas neon (atomic number 10) are paired, and all of the orbitals in the n = 1 and the n = 2 shells are filled. The electron configurations and orbital...
Electronic structures of room-temperature ionic liquids (RILs) were studied by ultraviolet photoemission spectroscopy (UPS) with synchrotron radiation. The samples contain 1-buthyl-3-methylimidazolium ion [bmim] + as the common organic cation, combined with fluorine-containing inorganic anions. We also...
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 and chemical matching of oxygen sublattices at the interface. Huiting Huang , Jun Wang ...
Electronic Structure Calculation Methods One successful method of describing the electronic ground state structures of materials is the density functional theory (DFT), which is primarily based on the electron density ρ(r), as opposed to the many-body electron wave function, Ψ(r1,...,rN). The...
The equilibrium geometry of the impurity ion is determined. The hydroxyl ion is oriented in all the three matrices along the 〈110〉-axis, which is caused by the formation of the selected chemical bond between the hydrogen ion and the nearest lattice fluorine ion located on the same axis. ...
The Π→Πelectronic emission spectrum of the fluorine molecular ion Fstudied in a supersonic beamThe Π→Πspectrum of Fhas been recorded at a low rotational temperature in a crossed molecular beam/electron beam apparatus. Approximately 100 vibrational bands have been fitted into two Deslandres ...
structure (solids and liquidsfluorine, FAn ab initio SCF calculation of 42 points of the energy hypersurface of the fluoronium ion is presented using a contracted F(5s/3p), H(2s) gaussian basis set. In its equilibrium structure a bond length of 1.812 a.u. and a HFH bond angle of ...
蒋滢,曾雉,夏上达,尹民.Ab Initio Calculation of 4f→5d Transition Energy and Electronic Structure of Ce3+ Doped in LiYF4 Crystal. Journal of Rare Earths . 2005蒋滢;曾雉;夏上达;尹民.Ab Initio Calculation of 4f→5d Transition Energy and Electronic Structure of Ce^3+ Doped in LiYF4 Crystal....
蒋滢,曾雉,夏上达,尹民.Ab Initio Calculation of 4f→5d Transition Energy and Electronic Structure of Ce3+ Doped in LiYF4 Crystal. Journal of Rare Earths . 2005蒋滢;曾雉;夏上达;尹民.Ab Initio Calculation of 4f→5d Transition Energy and Electronic Structure of Ce^3+ Doped in LiYF4 Crystal....
The electronic structure parameters characterizing the unpaired-electron density in the vicinity of the nucleus of a copper impurity ion are determined, and the parameters of covalent bonds between an impurity copper ion and three groups of the fluorine ions nearest to this impurity are calculated. ...