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Title: Neutron Scattering Investigation of the Relationship between Molecular Structure, Morphology and Dynamics in Conjugated Polymers

Abstract

Conjugated polymers (CP) have enabled significant technological advances such as inexpensive organic solar cells (OPVs), biomedical sensor devices and flexible displays incorporating organic light emitting diodes (OLEDs) among others. Some of the distinguishing properties of CPs include simple processing from solutions, synthesis from abundant raw materials (C, H, S, N), flexible device form-factors and a capacity to fine-tune optical and electronic properties. Moreover, conductive polymers can assemble into large organized structures, such as nanowires and networks, that can significantly boost their performance. However, it is observed that small changes in the structure of the molecules (e.g. addition of alkyl groups) results in drastic and unpredictable changes in organized structures and electronic properties. This project utilized a comprehensive suite of elastic (SANS and USANS) and quasi-elastic (NSE and backscattering spectroscopy) neutron scattering techniques along with simultaneous property evaluation to unravel the relationships between molecular structure, self-assembly, directed-assembly and the resulting properties. Completed project objectives were: 1) to evaluate the influence of chain architecture on solution conformation, 2) to determine of the influence of molecular structure on CP self and directed assembly and 3) to study the correlation between dynamic molecular relaxations and macroscopic properties of CPs in the solid state. Themore » experimental components of the project were further complemented by advanced molecular simulation strategies (e.g. atomistic MD and DFT) to fully understand the relationship between chain structure, mesoscale morphology, dynamic relaxation processes and the macroscopic properties.« less

Authors:
ORCiD logo [1]
  1. Univ. of Washington, Seattle, WA (United States)
Publication Date:
Research Org.:
Univ. of Washington, Seattle, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1467912
Report Number(s):
DOE-UW-10282
TRN: US1901692
DOE Contract Number:  
SC0010282
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 42 ENGINEERING; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; conjugated polymers; conductive polymers; neutron scattering; MD simulations

Citation Formats

Pozzo, Lilo Danielle. Neutron Scattering Investigation of the Relationship between Molecular Structure, Morphology and Dynamics in Conjugated Polymers. United States: N. p., 2018. Web. doi:10.2172/1467912.
Pozzo, Lilo Danielle. Neutron Scattering Investigation of the Relationship between Molecular Structure, Morphology and Dynamics in Conjugated Polymers. United States. doi:10.2172/1467912.
Pozzo, Lilo Danielle. Fri . "Neutron Scattering Investigation of the Relationship between Molecular Structure, Morphology and Dynamics in Conjugated Polymers". United States. doi:10.2172/1467912. https://www.osti.gov/servlets/purl/1467912.
@article{osti_1467912,
title = {Neutron Scattering Investigation of the Relationship between Molecular Structure, Morphology and Dynamics in Conjugated Polymers},
author = {Pozzo, Lilo Danielle},
abstractNote = {Conjugated polymers (CP) have enabled significant technological advances such as inexpensive organic solar cells (OPVs), biomedical sensor devices and flexible displays incorporating organic light emitting diodes (OLEDs) among others. Some of the distinguishing properties of CPs include simple processing from solutions, synthesis from abundant raw materials (C, H, S, N), flexible device form-factors and a capacity to fine-tune optical and electronic properties. Moreover, conductive polymers can assemble into large organized structures, such as nanowires and networks, that can significantly boost their performance. However, it is observed that small changes in the structure of the molecules (e.g. addition of alkyl groups) results in drastic and unpredictable changes in organized structures and electronic properties. This project utilized a comprehensive suite of elastic (SANS and USANS) and quasi-elastic (NSE and backscattering spectroscopy) neutron scattering techniques along with simultaneous property evaluation to unravel the relationships between molecular structure, self-assembly, directed-assembly and the resulting properties. Completed project objectives were: 1) to evaluate the influence of chain architecture on solution conformation, 2) to determine of the influence of molecular structure on CP self and directed assembly and 3) to study the correlation between dynamic molecular relaxations and macroscopic properties of CPs in the solid state. The experimental components of the project were further complemented by advanced molecular simulation strategies (e.g. atomistic MD and DFT) to fully understand the relationship between chain structure, mesoscale morphology, dynamic relaxation processes and the macroscopic properties.},
doi = {10.2172/1467912},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {8}
}