Optical physical properties of neutral and charged quinquethiophene monomer, and neutral and cationic pi-dimeric quinquethiophenes were investigated with density functional theory as well as the two dimensional (2D) site (transition density matrix) and three dimensional (3D) cube (transition density and charge difference density) representations, stimulated by the recent experimental report [T....

The charge distribution in atoms with closed electron shells is spherically symmetric, whereas atoms with partially filled shells can form covalent bonds with pointed lobes of increased charge density. Covalent bonding in the bulk can also affect surface atoms, leading to four tiny humps spaced by less than 100 picometers in the charge density of adatoms on a (001) tungsten surface. We imaged t...

We use time- and angle-resolved photoemission spectroscopy with sub-30-fs extreme-ultraviolet pulses to map the time- and momentum-dependent electronic structure of photoexcited 1T-TaS(2). This compound is a two-dimensional Mott insulator with charge-density wave ordering. Charge order, evidenced by splitting between occupied subbands at the Brillouin zone boundary, melts well before the lattic...

Femtosecond time-resolved core-level photoemission spectroscopy with a free-electron laser is used to measure the atomic-site specific charge-order dynamics of the charge-density wave in the Mott insulator 1T-TaS2. After strong photoexcitation, a prompt loss of charge order and subsequent fast equilibration dynamics of the electron-lattice system are observed. On the time scale of electron-phon...

in this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (bnnt) has been investigated by quantum calculations. in order to find the preferred adsorption site, different positions and orientations were considered. the impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...

We demonstrate that electron trapping at intrinsic precursor sites is endemic in non-glass-forming amorphous oxide films. The energy distributions of trapped electron states in ultra-pure prototype amorphous (a)-HfO2 insulator obtained from exhaustive photo-depopulation experiments demonstrate electron states in the energy range of 2-3 eV below the oxide conduction band. These energy distributi...

We consider the problem of screening of an electrically charged impurity in a clean graphene sheet. When electron-electron interactions are neglected, the screening charge has a sign opposite to that of the impurity, and is localized near the impurity. Interactions between electrons smear out the induced charge density to give a largedistance tail that follows approximately, but not exactly, an...

The self-energy screening correction is evaluated in a model in which the effect of the screening electron is represented as a first-order perturbation of the self energy by an effective potential. The effective potential is the Coulomb potential of the spherically averaged charge density of the screening electron. We evaluate the energy shift due to a 1s1/2, 2s1/2, 2p1/2, or 2p3/2 electron scr...

This paper present the electron charge pumping technique using the various charge pumps circuits for interface trap density and edge leakage reduction that is major concern in GAA short channel nanowire structure. Latched and bootstrap charge pump circuit has been simulated and analyzed for GAA structure. The charge pumping technique requires body contact of FET which has been implemented for G...

0301-0104/$ see front matter 2010 Elsevier B.V. A doi:10.1016/j.chemphys.2010.04.041 * Corresponding author. E-mail address: [email protected] (C.B Using Monte Carlo simulations, we study lateral electronic diffusion in dense monolayers composed of a mixture of redox-active and redox-passive chains tethered to a surface. Two charge transport mechanisms are considered: the physical dif...