Development of n-type organic semiconductors for thin film transistors: a viewpoint of molecular design

Gao, Xike; Hu, Yunbin

doi:10.1039/c3tc32046d

Cited by 252 publications

(157 citation statements)

References 170 publications

(408 reference statements)

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“…(2) and (6). As for per-fluorocoronene, the electronic coupling for hole transport is halved with respect to that of coronene, but that for electron transport is five times lower.…”

Section: Discussionmentioning

confidence: 82%

“…3 Many known organic materia) E-mail: jc.sancho@ua.es b) E-mail: aj.perez@ua.es als show excellent p-type performance, mainly elucidated due to the intense research performed in last years, with the selection of materials for n-type behavior being now under closer scrutiny. [4][5][6] The path followed for achieving n-type organic semiconductors is based on the large body of knowledge existing for corresponding p-type systems. For instance, functionalization of the molecule with active electron-withdrawing groups is a recurrent strategy, be these groups cyano, imide, or halogen atoms, as well as heteroatom replacements of the carbon atoms within the molecular backbone.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: A path to ambipolar organic-based materials?

Sancho‐García

Pérez-Jiménez

2014

The Journal of Chemical Physics

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We have carefully investigated the structural and electronic properties of coronene and some of its fluorinated and chlorinated derivatives, including full periphery substitution, as well as the preferred orientation of the non-covalent dimer structures subsequently formed. We have paid particular attention to a set of methodological details, to first obtain single-molecule magnitudes as accurately as possible, including next the use of modern dispersion-corrected methods to tackle the corresponding non-covalently bound dimers. Generally speaking, this class of compounds is expected to self-assembly in neighboring π -stacks with dimer stabilization energies ranging from -20 to -30 kcal mol −1 at close distances around 3.0-3.3 Å. Then, in a further step, we have also calculated hole and electron transfer rates of some suitable candidates for ambipolar materials, and corresponding charge mobility values, which are known to critically depend on the supramolecular organization of the samples. For coronene and per-fluorinated coronene, we have found high values for their hopping rates, although slightly smaller for the latter due to an increase (decrease) of the reorganization energies (electronic couplings).

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“…(2) and (6). As for per-fluorocoronene, the electronic coupling for hole transport is halved with respect to that of coronene, but that for electron transport is five times lower.…”

Section: Discussionmentioning

confidence: 82%

Section: Introductionmentioning

confidence: 99%

Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: A path to ambipolar organic-based materials?

Sancho‐García

Pérez-Jiménez

2014

The Journal of Chemical Physics

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“…Severe stability issues are most prominent in OLEDs, but in principle extend to any device, notably organic thin-film transistors with high-mobility n-type conductors [35]. Deep-blue emitters for OLEDs, for example, are still vulnerable to degradation processes related to the long lifetime of the highly energetic excited triplet state [36].…”

Section: Chapter 1 Organic Electronics In a Nutshellmentioning

confidence: 99%

“…With the transport graph fully parametrized, charge-carrier dynamics are described by a Master equation of the form 35) with transition rates K I→J , K J→I and time-dependent state occupation probabilities P I (t), P J (t). In the special case of a single charge carrier (N = 1) drift-diffusing through the system, there is a one-to-one correspondence between states and localization sites.…”

Section: Charge-carrier Dynamics and Mobilitymentioning

confidence: 99%

The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors

Poelking

2018

Springer Theses

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The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors The rational design of organic semiconductors for optoelectronic devices relies on a detailed understanding of how their molecular and morphological structure condition the energetics and dynamics of charged and excitonic states. Investigating the role of molecular architecture, conformation, orientation and packing, this work reveals mechanisms that shape the spatially resolved densities of states in organic, small-molecular and polymeric heterostructures and mesophases. The underlying computational framework combines multiscale simulations of the material morphology at atomistic and coarse-grained resolution with a long-range-polarized embedding technique to resolve the electronic structure of the molecular solid. We show that longrange electrostatic interactions tie the energetics of microscopic states to the mesoscopic structure, with a qualitative and quantitative impact on charge-carrier level profiles across organic interfaces. The computational approach provides quantitative access to the charge-density-dependent opencircuit voltage of planar heterojunctions. The derived and experimentally verified relationships between molecular orientation, architecture, level profiles and open-circuit voltage rationalize the acceptor-donor-acceptor pattern for donor materials in high-performing solar cells. Proposing a pathway for barrier-less dissociation of charge transfer states, we highlight how mesoscale fields generate charge splitting and detrapping forces in systems with finite interface roughness. The associated design rules reflect the dominant role played by lowest-energy configurations at the interface. Acknowledgements 121 Die (nicht-)lokale Zustandsdichte elektronischer Anregungen in organischen Halbleitern List of Publications 123Bibliography 125 Chapter 1 Organic Electronics in a NutshellThe discovery of conductive polymers in the 1970s [1,2] -rewarded with the Nobel prize in chemistry in the year 2000 -and subsequent development of the first polymeric electronic devices in the 1980s [3-5] have marked the beginnings of a vast interdisciplinary research field referred to as organic electronics. Drawing from both polymeric and small-molecular semiconductors, organic thin-film transistors, solar cells, light-emitting diodes, photodetectors and sensors name just a few out of many applications that make use of the supreme chemical versatility and mechanical flexibility of the underlying "soft" molecular materials. Furthermore enabling low-temperature solution-based processing, printing and spray coating, organic electronics is set to complement the conventional silicon-based electronics in diverse waysadding functionality and improving sustainability. This introductory chapter will provide a short review of the materials and device physics, as well as of new trends and challenges that emerged in the field over the past decade. MaterialsOrganic semiconductors are molecular materials that exist at the interface between orga...

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“…In fact, polymeric p-type, n-type and even ambipolar semiconductors with high charge mobilities have been developed on the basis of conjugated D-A polymers. [18][19][20][21] Moreover, conjugated D-A polymers have been successfully utilized as either electron donors or acceptors for OSCs with high power conversion efficiencies (PCEs). [22][23][24][25] Apart from conjugated polymers with alternating electron donor and acceptor moieties, conjugated D-A terpolymers, which contain either one kind of acceptor/two types of electron donors (2D1A) or one kind of donor/two types of electron acceptors (1D2A) in the backbones as illustrated in Scheme 1, have received increased attention.…”

mentioning

confidence: 99%

Conjugated D–A terpolymers for organic field-effect transistors and solar cells

Luo

Liu

Zhang

2017

Polym J

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The incorporation of additional electron donors or acceptors into the backbones of conjugated polymers with alternating donors and acceptors results in various conjugated D-A terpolymers. The presence of additional electron donors or acceptors in the conjugated backbones can modulate the electronic absorptions and highest occupied molecular orbital/lowest unoccupied molecular orbital levels, as well as interchain interactions and thin-film morphology. Because of these structural features, conjugated D-A terpolymers have been intensively investigated in recent years for applications in field-effect transistors and photovoltaic cells. In this review, we introduce the recent developments of conjugated D-A terpolymers with various combinations of electron donors and acceptors, and discuss the future perspectives for conjugated terpolymers. In recent decades, conjugated polymers have demonstrated promising applications in flexible, large-area and low-cost electronic devices, such as organic field-effect transistors (OFETs) 1-3 and solar cells (OSCs). [4][5][6][7] This is attributed to the conjugated electronic and polymeric structures of these polymers, resulting in semiconducting properties with good solution processability, mechanical property and thermal stability. 8,9 Among the conjugated polymers, conjugated alternating polymers consisting of both electron donors (D) and electron acceptors (A), referred to as conjugated D-A polymers, [10][11][12][13][14][15][16][17] have been extensively investigated in recent years. The studies indicate that electronic absorptions, highest occupied molecular orbital/lowest unoccupied molecular orbital (HOMO/LUMO) energies (and bandgaps), interchain interactions and thin-film morphologies of conjugated D-A polymers can be effectively tuned 10-17 by properly varying the electron donors and acceptors as well as the linkers. Consequently, the semiconducting performance of conjugated D-A polymers can be tuned in this way. In fact, polymeric p-type, n-type and even ambipolar semiconductors with high charge mobilities have been developed on the basis of conjugated D-A polymers. 18-21 Moreover, conjugated D-A polymers have been successfully utilized as either electron donors or acceptors for OSCs with high power conversion efficiencies (PCEs). [22][23][24][25] Apart from conjugated polymers with alternating electron donor and acceptor moieties, conjugated D-A terpolymers, which contain either one kind of acceptor/two types of electron donors (2D1A) or one kind of donor/two types of electron acceptors (1D2A) in the backbones as illustrated in Scheme 1, have received increased attention. It is expected that an additional dimension is generated for tuning the electronic structures of conjugated polymers and thus their absorptions and HOMO/LUMO levels as well as interchain packing 8,26 with such conjugated D-A terpolymers. Moreover, the combination of existing electron donors and acceptors can yield a huge number of terpolymers, which can be prepared in the same manner as conventional D-A ...

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Development of n-type organic semiconductors for thin film transistors: a viewpoint of molecular design

Abstract: More than nine molecular design strategies with >120 representative n-type organic semiconductors are summarized and analyzed.

Cited by 252 publications

References 170 publications

Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: A path to ambipolar organic-based materials?

Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: A path to ambipolar organic-based materials?

The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors

Conjugated D–A terpolymers for organic field-effect transistors and solar cells

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