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
THIS communication describes the results of some very approximate calculations relating to the electronic structure of XeF2. The treatment is of the four electrons associated with a framework: F+Xe++F+. The various wave functions of the molecule which were tested were constructed from the 2pzorbital...
Orbital Energies and Atomic Structure The energy of atomic orbitals increases as the principal quantum number, n, increases. In any atom with two or more electrons, the repulsion between the electrons makes energies of subshells with different values of l differ so that the energy...
Babudri, F., Farinola, G.M., Naso, F., Ragnia, R., 2007. Fluorinated organic materials for electronic and optoelectronic applications: the role of the fluorine atom. Chem. Commun., 1003-1022.Babudri F,Farinola G M,Naso F et al.Fluorinated organic materials for electronic and ...
The Lewis structure of the fluorine atom is shown below. The electronic configuration of the fluorine atom is {eq}1s^22s^22p^5 {/eq}. It has 7...Become a member and unlock all Study Answers Start today. Try it now Create an account Ask a question Our experts...
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 ...
We report on the effect of fluorine doping on the electronic structure and optical properties of monoclinic niobium pentoxide (B-Nb_2O_5) as revealed by the first principles calculations. Density functional theory (DFT) along with generalized gradient approximation (GGA) at the revised Perdew-...
We have engineered the electronic structure at the interface between Cu2O and ZnO nanorods (NRs) array, through adjusting the carrier concentration of Cu2O. The electrodeposition of Cu2O at pH 11 acquired the highest carrier concentration, resulting in t
www.nature.com/scientificreports OPEN A theoretical investigation of the effect of Ga alloying on thermodynamic stability, electronic‑structure, and oxidation resistance of T i2AlC MAX phase Daniel Sauceda1, Prashant Singh1,2* & Raymundo Arroyave1,3,4 We present a ...
A coplanar quantum mechanical study of rotational energy transfer in the quenching of the fluorine atom by H2is carried out. While constrained to a fixed plane, the internal nuclear degrees of freedom of the system include rotation as well as vibration. The electronic degrees of freedom are repre...