alexa Abstract | From molecules to materials: electronic and crystal engineering of bis-silylethynylated acenes for high carrier mobility

Journal of Chemical and Pharmaceutical Research
Open Access

OMICS International organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.

Open Access Journals gaining more Readers and Citations

700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ Readers

This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)

Original Articles Open Access

Abstract

Now considerable attention should be placed for the search of high-performance air-stable organic semiconductor materials (OSCMs) to fulfill the meet of applications. Crystal structure prediction (CSP) is a powerful tool to predict the CT properties of OSCMs. In this paper, using a new combined QM and MM method, the packing motifs of the experimental and the other possible polymorphisms of TIPS-PEN and TIPS-TBT were successful predicted. Here, we successfully predicted their charge transport properties with nothing more than the molecular geometry as the starting point and provide a rational method in designing of OSCMs.

To read the full article Peer-reviewed Article PDF image

Author(s): Xiangyang Chen and Yi Liao

Keywords

organic semiconductor materials, crystal structure prediction, charge transport, DFT-D, electronic and crystal engineering

 
Peer Reviewed Journals
 
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
 
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

 
© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version
adwords