scholarly journals Efficient energy transport in an organic semiconductor mediated by transient exciton delocalization

2021 ◽  
Vol 7 (32) ◽  
pp. eabh4232
Author(s):  
Alexander J. Sneyd ◽  
Tomoya Fukui ◽  
David Paleček ◽  
Suryoday Prodhan ◽  
Isabella Wagner ◽  
...  
Keyword(s):  
Organic Semiconductor ◽  
Self Assembly ◽  
Energy Transport ◽  
Localized States ◽  
Bulk Heterojunctions ◽  
Equilibrium Conditions ◽  
Efficient Energy ◽  
Exciton Diffusion ◽  
Dynamics Simulations ◽  
And Diffusion

Efficient energy transport is desirable in organic semiconductor (OSC) devices. However, photogenerated excitons in OSC films mostly occupy highly localized states, limiting exciton diffusion coefficients to below ~10−2 cm2/s and diffusion lengths below ~50 nm. We use ultrafast optical microscopy and nonadiabatic molecular dynamics simulations to study well-ordered poly(3-hexylthiophene) nanofiber films prepared using living crystallization-driven self-assembly, and reveal a highly efficient energy transport regime: transient exciton delocalization, where energy exchange with vibrational modes allows excitons to temporarily re-access spatially extended states under equilibrium conditions. We show that this enables exciton diffusion constants up to 1.1 ± 0.1 cm2/s and diffusion lengths of 300 ± 50 nm. Our results reveal the dynamic interplay between localized and delocalized exciton configurations at equilibrium conditions, calling for a re-evaluation of exciton dynamics and suggesting design rules to engineer efficient energy transport in OSC device architectures not based on restrictive bulk heterojunctions.

scholarly journals DNA-templated control of chirality and efficient energy transport in supramolecular DNA architectures with aggregation-induced emission

2021 ◽  
Author(s):  
Hülya Ucar ◽  
Hans-Achim Wagenknecht
Keyword(s):  
Self Assembly ◽  
Energy Transport ◽  
Aggregation Induced Emission ◽  
Efficient Energy

Two conjugates of tetraphenylethylene with D-2’-deoxyuridine (1D) and L-2’-deoxyuridine (1L) were synthesized to construct new supramolecular DNA-architectures by self-assembly. The non-templated assemblies of 1D and 1L show strong aggregation-induced emission...

Efficient energy transport in an organic semiconductor mediated by transient exciton delocalisation

2021 ◽  
Author(s):  
Alexander Sneyd ◽  
Tomoya Fukui ◽  
David Paleček ◽  
Suryoday Prodhan ◽  
Isabella Wagner ◽  
...  
Keyword(s):  
Organic Semiconductor ◽  
Energy Transport ◽  
Efficient Energy

Flow Chemistry Controls Both Self-Assembly and the Entrapped Oscillatory Cargo in Belousov-Zhabotinsky Driven Polymerization-Induced Self-Assembly

2019 ◽  
Author(s):  
Liman Hou ◽  
Marta Dueñas-Diez ◽  
Rohit Srivastava ◽  
Juan Perez-Mercader
Keyword(s):  
Self Assembly ◽  
Flow Chemistry ◽  
Batch Reactors ◽  
Equilibrium Conditions ◽  
One Pot ◽  
Bz Reaction ◽  
Polymer Vesicles ◽  
Simultaneous Control ◽  
Novel Method ◽  
Continuously Stirred Tank Reactor

<p></p><p>Belousov-Zhabotinsky (B-Z) reaction driven polymerization-induced self-assembly (PISA), or B-Z PISA, is a novel method for the autonomous one-pot synthesis of polymer vesicles from a macroCTA (macro chain transfer agent) and monomer solution (“soup”) containing the above and the BZ reaction components. In it, the polymerization is driven (and controlled) by periodically generated radicals generated in the oscillations of the B-Z reaction. These are inhibitor/activator radicals for the polymerization. Until now B-Z PISA has only been carried out in batch reactors. In this manuscript we present the results of running the system using a continuously stirred tank reactor (CSTR) configuration which offers some interesting advantages.Indeed, by controlling the CSTR parameters we achieve reproducible and simultaneous control of the PISA process and of the properties of the oscillatory cargo encapsulated in the resulting vesicles. Furthermore, the use of flow chemistry enables a more precise morphology control and chemical cargo tuning. Finally, in the context of biomimetic applications a CSTR operation mimics more closely the open non-equilibrium conditions of living systems and their surrounding environments.</p><p></p>

scholarly journals Polymer cyclization for the emergence of hierarchical nanostructures

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Chaojian Chen ◽  
Manjesh Kumar Singh ◽  
Katrin Wunderlich ◽  
Sean Harvey ◽  
Colette J. Whitfield ◽  
...  
Keyword(s):  
Self Assembly ◽  
Three Dimensional ◽  
Hierarchical Structures ◽  
Structural Similarity ◽  
Vital Role ◽  
Nanomaterial Synthesis ◽  
Wide Range ◽  
Linear Poly ◽  
Polymer Folding ◽  
Dynamics Simulations

AbstractThe creation of synthetic polymer nanoobjects with well-defined hierarchical structures is important for a wide range of applications such as nanomaterial synthesis, catalysis, and therapeutics. Inspired by the programmability and precise three-dimensional architectures of biomolecules, here we demonstrate the strategy of fabricating controlled hierarchical structures through self-assembly of folded synthetic polymers. Linear poly(2-hydroxyethyl methacrylate) of different lengths are folded into cyclic polymers and their self-assembly into hierarchical structures is elucidated by various experimental techniques and molecular dynamics simulations. Based on their structural similarity, macrocyclic brush polymers with amphiphilic block side chains are synthesized, which can self-assemble into wormlike and higher-ordered structures. Our work points out the vital role of polymer folding in macromolecular self-assembly and establishes a versatile approach for constructing biomimetic hierarchical assemblies.

scholarly journals Variation of Interaction Zone Size For The Target Design of 2D Supramolecular Networks

2021 ◽  
Author(s):  
Łukasz Piotr Baran ◽  
Wojciech Rżysko ◽  
Dariusz Tarasewicz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Zone Size ◽  
Interaction Zone ◽  
Supramolecular Networks ◽  
Dynamics Simulations ◽  
Target Design

In this study we have performed extensive coarse-grained molecular dynamics simulations of the self-assembly of tetra-substituted molecules. We have found that such molecules are able to form a variety of...

scholarly journals All-Atom Molecular Dynamics Simulations of Beta-Solenoid Protein Self-Assembly

2018 ◽  
Vol 114 (3) ◽  
pp. 63a
Author(s):  
Amanda Parker ◽  
Daniel Cox
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Dynamics Simulations

Oligothiophene Versusβ-Sheet Peptide: Synthesis and Self-Assembly of an Organic Semiconductor-Peptide Hybrid

2009 ◽  
Vol 21 (16) ◽  
pp. 1562-1567 ◽  
Author(s):  
Eva-Kathrin Schillinger ◽  
Elena Mena-Osteritz ◽  
Jens Hentschel ◽  
Hans G. Börner ◽  
Peter Bäuerle
Keyword(s):  
Peptide Synthesis ◽  
Organic Semiconductor ◽  
Self Assembly

A dissipative particle dynamics simulation study on phase diagrams for the self-assembly of amphiphilic hyperbranched multiarm copolymers in various solvents

Soft Matter ◽  
2017 ◽  
Vol 13 (36) ◽  
pp. 6178-6188 ◽  
Author(s):  
Haina Tan ◽  
Chunyang Yu ◽  
Zhongyuan Lu ◽  
Yongfeng Zhou ◽  
Deyue Yan
Keyword(s):  
Phase Diagrams ◽  
Simulation Study ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulation ◽  
Dynamics Simulations ◽  
First Time ◽  
Dissipative Particle Dynamics Simulation

This work discloses for the first time the self-assembly phase diagrams of amphiphilic hyperbranched multiarm copolymers in various solvents by dissipative particle dynamics simulations.

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