Assessment of molecular dynamics simulations for amorphous poly(3-hexylthiophene) using neutron and X-ray scattering experiments-Reference-Cited by-同舟云学术

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Assessment of molecular dynamics simulations for amorphous poly(3-hexylthiophene) using neutron and X-ray scattering experiments

Published:2019 Issue:25 Volume:15 Page:5067-5083
ISSN:1744-683X
Container-title:Soft Matter
language:en
Short-container-title:Soft Matter

Author:

Wolf Caitlyn M.¹²³⁴^ORCID,Kanekal Kiran H.¹²³⁴,Yimer Yeneneh Y.¹²³⁴,Tyagi Madhusudan⁵⁶⁷⁴⁸,Omar-Diallo Souleymane⁹¹⁰¹¹⁴,Pakhnyuk Viktoria¹²²³⁴,Luscombe Christine K.⁸²³⁴^ORCID,Pfaendtner Jim¹²³⁴^ORCID,Pozzo Lilo D.¹²³⁴^ORCID

Affiliation:

1. Department of Chemical Engineering

2. University of Washington

3. Seattle

4. USA

5. NIST Center for Neutron Research (NCNR)

6. National Institute of Standards and Technology

7. Gaithersburg

8. Department of Materials Science and Engineering

9. Chemical and Engineering Materials Division

10. Oak Ridge National Laboratory

11. Oak Ridge

12. Department of Chemistry

Abstract

An honest discussion on the strengths and limitations of molecular dynamics force fields for P3HT through neutron scattering.

Funder

Division of Graduate Education

Division of Materials Research

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/SM/C9SM00807A

Reference63 articles.

1. Review on recent advances in polythiophene based photovoltaic devices

2. Recent progress of high performance polymer OLED and OPV materials for organic printed electronics

3. Integrated Materials Design of Organic Semiconductors for Field-Effect Transistors

4. The rise of plastic bioelectronics

5. Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory

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