Fluorinated benzalkylsilane molecular rectifiers

Exploring the performance of molecular rectifiers: limitations and factors affecting molecular rectification.

There has been significant work investigating the use of molecules as nanoscale rectifiers in so-called "molecular electronics". However, less attention has been paid to optimizing the design parameters of molecular rectifiers or to their inherent limitations. Here we use a barrier tunneling model to examine the degree of rectification that can be achieved and to provide insight for the design ...

The Electronic and Optical Properties of ‎Pristine, Fluorinated and Chlorinated ‎Pentacene Molecules: An ab-initio Study

   In This research the effect of fluorine and chlorine substituents on the electronic and opticalproperties of pentacene molecule have been investigated based on density functional theory as implemented in SIESTA code. The results show thatthe full replacement of hydrogen atoms with fluorine and chlorine in pentacene molecule, leads to ...

Biocatalytic synthesis of fluorinated polyesters.

The biocatalytic synthesis of fluorinated polyesters from activated diesters and fluorinated diols has been investigated. The effects of time, continuous enzyme addition, enzyme concentration, and diol chain length were studied to determine the factors that would limit chain extension, such as enzyme inactivation, enzyme specificity, the equilibrium position for the reaction, hydrolytic side re...

Polymer-theory Insights into Biomolecular Systems,Fabrication of Gold Nano-Crystal Arrays for Molecular Electronics: High Frequency Molecular Rectifiers and π-π Inter Molecular Interaction Energy,Parallel Programming with OpenMP and MPI,Winner of the IUPAP Young Scientist Prize in Atomic, Molecular and Optical Physics 2017

Single molecule spectroscopic studies of organic rectifiers composed of pyrene and perylenebisimide

Single molecule spectroscopic characteristics of two organic molecular rectifiers are reported. Composed of pyrene as the donor and perylenebisimide (PBI) as the acceptor, these groups are separated by bridges of one or four carbon atoms. Whereas the solution phase absorption and fluorescence spectra are similar, spectra are much more diverse and exhibit different degrees of photostability at t...