Photoactive organic material discovery with combinatorial supramolecular assembly

Levine, A. M.; Biswas, Sankarsan; Braunschweig, Adam B.

doi:10.1039/c9na00476a

Cited by 10 publications

(13 citation statements)

References 88 publications

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“…Moreover, the level of order and anisotropy best suited for the function depends on the application, with short-range transfer processes occurring through dynamic interfaces, while long-range transport required order at much larger length ranges. Despite the well-understood relationship between peptide design, structure, and function, the influence of sequence, morphology, and order are not additive properties and combinatorial screening experiments involving side-by-side comparisons are often good start points to elucidate design rules Active learning and MD simulations are also suitable to reduce the search space and identify designs . Similarly, for the optimization of reactivity and catalysis, preformed binding sites enhance catalytic activity by recruitment of reactants, but reactivity can be further enhanced by the incorporation of induced or triggered organization …”

Section: Functional Complex Peptide Nanostructuresmentioning

confidence: 99%

Peptide-Based Supramolecular Systems Chemistry

et al. 2021

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Peptide-based supramolecular systems chemistry seeks to mimic the ability of life forms to use conserved sets of building blocks and chemical reactions to achieve a bewildering array of functions. Building on the design principles for short peptide-based nanomaterials with properties, such as self-assembly, recognition, catalysis, and actuation, are increasingly available. Peptide-based supramolecular systems chemistry is starting to address the far greater challenge of systems-level design to access complex functions that emerge when multiple reactions and interactions are coordinated and integrated. We discuss key features relevant to systems-level design, including regulating supramolecular order and disorder, development of active and adaptive systems by considering kinetic and thermodynamic design aspects and combinatorial dynamic covalent and noncovalent interactions. Finally, we discuss how structural and dynamic design concepts, including preorganization and induced fit, are critical to the ability to develop adaptive materials with adaptive and tunable photonic, electronic, and catalytic properties. Finally, we highlight examples where multiple features are combined, resulting in chemical systems and materials that display adaptive properties that cannot be achieved without this level of integration.

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Section: Functional Complex Peptide Nanostructuresmentioning

confidence: 99%

Peptide-Based Supramolecular Systems Chemistry

et al. 2021

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“…156−160 Segregated domains, through the delocalization of photogenerated radical ion pairs, yield enhanced electron transfer kinetics and extended charge separation lifetime while providing percolation pathways for the free charge carriers. While supramolecular arrangements and the emergent properties in coassemblies of D−A systems have been extensively documented, 150 the understanding of charge transfer and transport dynamics in segregated architectures of connected D−A systems and its application in functional devices are yet evolving.…”

Section: Self-assembled Architecturesmentioning

confidence: 99%

“…Circumventing the Coulombic interaction directed interdigitating arrangement requires careful engineering of molecular structure and appropriate functionalization of the units. , The π-stacking propensity of D–A units in conjunction with hydrogen bonding, − metal-coordination bonding, − ion templates, − chiral auxiliaries, ,,, self-organizing surface-initiated polymerization, , side-chain functionalization induced amphiphilicity, , and halogen interactions have been utilized to promote segregated D and/or A motifs. Several hierarchical architectures including parallel bicontinuous, coaxial, ,, hexagonal, slip-stacked, helical, ,,, helix wrapped, nonparallel, and alternate distichous possessing segregated arrays have been achieved utilizing such strategies (Figure ).…”

Section: Covalently Connected Donor–acceptor Systemsmentioning

confidence: 99%

Free Charge Carriers in Homo-Sorted π-Stacks of Donor–Acceptor Conjugates

et al. 2021

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Inspired by the high photoconversion efficiency observed in natural light-harvesting systems, the hierarchical organization of molecular building blocks has gained impetus in the past few decades. Particularly, the molecular arrangement and packing in the active layer of organic solar cells (OSCs) have garnered significant attention due to the decisive role of the nature of donor/acceptor (D/A) heterojunctions in charge carrier generation and ultimately the power conversion efficiency. This review focuses on the recent developments in emergent optoelectronic properties exhibited by self-sorted donor-on-donor/acceptor-on-acceptor arrangement of covalently linked D–A systems, highlighting the ultrafast excited state dynamics of charge transfer and transport. Segregated organization of donors and acceptors promotes the delocalization of photoinduced charges among the stacks, engendering an enhanced charge separation lifetime and percolation pathways with ambipolar conductivity and charge carrier yield. Covalently linking donors and acceptors ensure a sufficient D–A interface and interchromophoric electronic coupling as required for faster charge separation while providing better control over their supramolecular assemblies. The design strategies to attain D–A conjugate assemblies with optimal charge carrier generation efficiency, the scope of their application compared to state-of-the-art OSCs, current challenges, and future opportunities are discussed in the review. An integrated overview of rational design approaches derived from the comprehension of underlying photoinduced processes can pave the way toward superior optoelectronic devices and bring in new possibilities to the avenue of functional supramolecular architectures.

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“…Also, computational methods are very useful to guide the development of both substance classes or even the entire OSC. 73,74 The fast moving field of non-fullerene organic solar cells has been the objective of several recent perspectives and reviews covering small molecule NFAs and the corresponding solar cells in general (e.g., refs 33, 49, and 75−77) or specific compound classes, for example, rylene dyes, 78−81 Y-type 82−84 and IDIC/ITIC-type acceptors, 85 or polymeric acceptors. 86,87 Also, design strategies have been reviewed, such as A−D−Astructure-type 88,89 and fused-ring molecules 90,91 as well as isomeric, 92 star shaped, 93 and asymmetric compounds.…”

Section: Introductionmentioning

confidence: 99%

“…It is not always necessary to strictly separate the donors from acceptors, as often common improvement strategies (such as chlorination and fluorination , ), design strategies (ladder-type compounds), or substance classes (such as diketopyrrolopyrroles) are used for both. Also, computational methods are very useful to guide the development of both substance classes or even the entire OSC. , …”

Section: Introductionmentioning

confidence: 99%

Recent Progress in the Design of Fused-Ring Non-Fullerene Acceptors─Relations between Molecular Structure and Optical, Electronic, and Photovoltaic Properties

Schweda

Reinfelds

Hofstadler

et al. 2021

ACS Appl. Energy Mater.

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Organic solar cells are on the dawn of the next era. The change of focus toward non-fullerene acceptors has introduced an enormous amount of organic n-type materials and has drastically increased the power conversion efficiencies of organic photovoltaics, now exceeding 18%, a value that was believed to be unreachable some years ago. In this Review, we summarize the recent progress in the design of ladder-type fused-ring non-fullerene acceptors in the years 2018–2020. We thereby concentrate on single layer heterojunction solar cells and omit tandem architectures as well as ternary solar cells. By analyzing more than 700 structures, we highlight the basic design principles and their influence on the optical and electrical structure of the acceptor molecules and review their photovoltaic performance obtained so far. This Review should give an extensive overview of the plenitude of acceptor motifs but will also help to understand which structures and strategies are beneficial for designing materials for highly efficient non-fullerene organic solar cells.

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Photoactive organic material discovery with combinatorial supramolecular assembly

Abstract: Organic semiconductors have received substantial attention as active components in optoelectronic devices because of their processability and customizable properties.

Cited by 10 publications

References 88 publications

Peptide-Based Supramolecular Systems Chemistry

Peptide-Based Supramolecular Systems Chemistry

Free Charge Carriers in Homo-Sorted π-Stacks of Donor–Acceptor Conjugates

Recent Progress in the Design of Fused-Ring Non-Fullerene Acceptors─Relations between Molecular Structure and Optical, Electronic, and Photovoltaic Properties

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