to investigate non-bonded interaction of phenanthrene and bn nanostructure, geometric structure of phenanthrene and b12n12 nano-ring with b3lyp method and 6-31g* basis set are optimized by using ab initio gaussian quantum chemical package. the main purpose of this study was to evaluate changes of electronic properties of aromatic compound in presences nano ring field. therefore reactivity and s...

In this feature article we focus on the key problem of charge separation in nano-scale photovoltaic materials; in particular recent theoretical/computational work based on first principles electronic structure approaches is presented and discussed. We review applications of state-of-the-art electronic structure calculations to nano-scale materials that enable charge separation between an excite...

Department of Chemistry & Biochemistry, U USA. E-mail: [email protected] Department of Chemistry & Nano Science, E Korea Suzhou Institute of Nano-Tech & Nano-Bion 215125, China Materials Department, University of Califo Graduate School of EEWS, KAIST, Daejeon, Institute of Physical Chemistry, Georg-Augu Department of Dynamics at Surfaces, Max-P Göttingen, Germany † Electronic supplementary i...

nano zno/ montmorillonite composite were prepared by sol gel method under ultrasonic irradiation from directly mixing montmorillonite nano clay into zinc gel. the zn(ch3coo)2.2h2o and montmorillonite nano clay was used as precursor. the zinc acetate was dissolved in di water and, nh3 (aq) solution was dropped into the zinc solution until ph 9 consequently the zinc gel was produced. the montmori...

The use of single molecules as active components in electronic devices is presently considered a potential alternative to semiconductor-based nanoscale electronics since it directly provides precisely-defined nano-scale components for electronic devices which eventually allows for simple processing and device fabrication. In the present thesis the self-assembly and electron transport properties...

We propose a method for uniformly calculating the electronic states of a hydrogenic donor impurity in low-dimensional semiconductor nanostructures in the framework of effective-mass envelope-function theory, and we study the electronic structures of this systems. Compared to previous methods, our method has the following merits: (a) It can be widely applied in the calculation of the electronic ...

Carbon nanotubes (CNTs) are one of the most significant achievements of nano-technology because of its important applications in the design of electronic nano-devices. The study of their properties is therefore important. In this study, Density Functional Theory (DFT) was used to investigate the adsorption of gas molecules on the surface of carbon nanotubes. Theoretical studies have found that ...

Our paper reviews the use of conductive polymer composite materials in various applications for semi conductive, static-dissipative, anti-corrosive, electromagnetic interference (EMI) shielding and stealth composite coatings. The composite consists of conductive fillers and the insulating polymer network. The composite becomes electrically conductive as the filler content exceeds a certain crit...