Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes)-Reference-Cited by-同舟云学术

Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes)

Published:2018 Issue:46 Volume:20 Page:28984-28989
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Casalegno Mosè¹²³⁴⁵^ORCID,Nicolini Tommaso¹²³⁴⁵^ORCID,Famulari Antonino¹²³⁴⁵^ORCID,Raos Guido¹²³⁴⁵^ORCID,Po Riccardo⁶⁷⁸⁵^ORCID,Meille Stefano V.¹²³⁴⁵^ORCID

Affiliation:

1. Dipartimento di Chimica

2. Materiali e Ingegneria Chimica “G. Natta”

3. Politecnico di Milano

4. I-20131 Milano (MI)

5. Italy

6. Research Center for Renewable Energies and Environment

7. Istituto Guido Donegani, Eni S. p. A

8. I-28100 Novara (NO)

Abstract

Atomistic MD simulation allows following continuously the experimentally observed transition between form I and form II poly(3-hexylthiophene) and poly(3-butylthiophene), evidencing unexpected reorganization.

Funder

Ministero dell'Istruzione, dell'Universitá e della Ricerca

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP05820B

Reference63 articles.

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2. Structural Polymorphism as the Result of Kinetically Controlled Self-Assembly

3. Crystallization-Induced Properties from Morphology-Controlled Organic Crystals