Elucidating the Effects of Solvating Side Chains on the Rigidity and Aggregation Tendencies of Conjugated Polymers with Molecular Dynamics Simulations Using DFT Tight Binding-Reference-Cited by-同舟云学术

Elucidating the Effects of Solvating Side Chains on the Rigidity and Aggregation Tendencies of Conjugated Polymers with Molecular Dynamics Simulations Using DFT Tight Binding

Published:2019-03-21 Issue:15 Volume:123 Page:3293-3299
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zeman Charles J.¹^ORCID,Schanze Kirk S.²^ORCID

Affiliation:

1. Department of Chemistry, University of Florida, Gainesville, Florida 32611, United States

2. Department of Chemistry, University of Texas at San Antonio, One UTSA Circle, San Antonio, Texas 78249, United States

Funder

University of Florida

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b12169

Reference57 articles.

1. Synthesis of Conjugated Polymers for Organic Solar Cell Applications

2. Conjugated Polymer Photovoltaic Cells

3. Designing π-conjugated polymers for organic electronics

4. Review of electronic and optical properties of semiconductingπ-conjugated polymers: applications in optoelectronics

5. Conformational Order in Aggregates of Conjugated Polymers

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Water-Soluble Poly(phenylene ethynylene)s That Contain Phosphonium Pendant Groups;Macromolecules;2024-07-17

2. Tunable mechanochromic luminescence of benzofuran-fused pyrazine: effects of alkyl chain length and branching pattern;Journal of Materials Chemistry C;2024

3. Designing Amphiphilic Conjugated Polyelectrolytes for Self-Assembly into Straight-Chain Rod-like Micelles;Macromolecules;2023-04-12

4. Can Linear Conjugated Polymers Form Stable Helical Structures on the Carbon Nanotubes?;ACS Applied Materials & Interfaces;2022-10-19

5. A Sensor Array for the Ultrasensitive Discrimination of Heavy Metal Pollutants in Seawater;Advanced Functional Materials;2022-06-02