Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 21, 2016
Previous Article Next Article

Polymorphism in α-sexithiophene crystals: relative stability and transition path

Author affiliations

Abstract

We present a joint theoretical and experimental study to investigate polymorphism in α-sexithiophene (6T) crystals. By means of density-functional theory calculations, we clarify that the low-temperature phase is favorable over the high-temperature one, with higher relative stability up to 50 meV per molecule. This result is in agreement with our thermal desorption measurements. We also propose a transition path between the high- and low-temperature 6T polymorphs, estimating an upper bound for the energy barrier of about 1 eV per molecule. The analysis of the electronic properties of the investigated 6T crystal structures complements our study.

Graphical abstract: Polymorphism in α-sexithiophene crystals: relative stability and transition path

Back to tab navigation

Supplementary files

Article information


Submitted
29 Feb 2016
Accepted
03 May 2016
First published
03 May 2016

Phys. Chem. Chem. Phys., 2016,18, 14603-14609
Article type
Paper

Polymorphism in α-sexithiophene crystals: relative stability and transition path

B. Klett, C. Cocchi, L. Pithan, S. Kowarik and C. Draxl, Phys. Chem. Chem. Phys., 2016, 18, 14603
DOI: 10.1039/C6CP01405D

Social activity

Search articles by author

Spotlight

Advertisements