Band gap engineering in blended organic semiconductor films based on dielectric interactions

Ortstein, Katrin; Hutsch, Sebastian; Hambsch, Mike; Tvingstedt, Kristofer; Wegner, Berthold; Benduhn, Johannes; Kublitski, Jonas; Schwarze, Martin; Schellhammer, Sebastian; Talnack, Felix; Vogt, Astrid; Bäuerle, Peter; Koch, Norbert; Mannsfeld, Stefan C. B.; Kleemann, Hans; Ortmann, Frank; Leo, Karl

doi:10.1038/s41563-021-01025-z

Cited by 22 publications

(24 citation statements)

References 57 publications

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“…In contrast, a comparison between the derived theoretical results for the compositional disorder with the experimental data in organic semiconductor blends desired for band-structure engineering , seems rather controversial. Although qualitative trends in experimental data do not contradict theoretical predictions, the quantitative estimates of the energy and spatial scales of disorder potential do not provide a self-consistent picture, if they are based on the theory developed for inorganic alloys.…”

Section: Discussionmentioning

confidence: 99%

“…Recently a breakthrough with respect to band structure engineering has been achieved for organic semiconductors. , First Schwarze et al have proven that the ionization energies of crystalline organic semiconductors, ZnPc and SubPc, can be continuously tuned over a wide range by blending them with their halogenated derivatives, F 4 ZnPc, F 8 ZnPc, F 16 ZnPc, and Cl 6 SubPc. Later the band-gap tuning by blending was demonstrated by Ortstein et al for oligothiophenes with dicyanovinyl end groups, designed as donors in organic solar cells, where their energy levels match the fullerene acceptor C 60 .…”

Section: Alloy Disorder In Various Semiconductor Alloysmentioning

confidence: 99%

“…In recent years, band-gap engineering has been applied to nitride semiconductors used in modern LEDs, 2 to perovskites for applications in photovoltaics, 3 to 2D systems, such as transition-metal dichalcogenides (TMDs), desired to miniaturize the corresponding devices toward nearly atomically thin dimensions, 4 and to organic disordered semiconductors 5 for Received: August 23, 2022 Accepted: November 24, 2022 applications in organic light-emitting diodes (OLEDs), organic thin-film transistors (OTFTs), and organic solar cells (OSCs). 5,6 The tunability of the semiconductor properties by alloying, however, has its price. Alloying always creates disorder, which affects the behavior of electrons and holes, causing spatial localization of charge carriers.…”

Section: Introductionmentioning

confidence: 99%

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Energy Scales of Compositional Disorder in Alloy Semiconductors

et al. 2022

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The study of semiconductor alloys is currently experiencing a renaissance. Alloying is often used to tune the material properties desired for device applications. It allows, for instance, to vary in broad ranges the band gaps responsible for the light absorption and light emission spectra of the materials. The price for this tunability is the extra disorder caused by alloying. In this mini-review, we address the features of the unavoidable disorder caused by statistical fluctuations of the alloy composition along the device. Combinations of material parameters responsible for the alloy disorder are revealed, based solely on the physical dimensions of the input parameters. Theoretical estimates for the energy scales of the disorder landscape are given separately for several kinds of alloys desired for applications in modern optoelectronics. Among these are perovskites, transition-metal dichalcogenide monolayers, and organic semiconductor blends. While theoretical estimates for perovskites and inorganic monolayers are compatible with experimental data, such a comparison is rather controversial for organic blends, indicating that more research is needed in the latter case.

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Section: Discussionmentioning

confidence: 99%

Section: Alloy Disorder In Various Semiconductor Alloysmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Energy Scales of Compositional Disorder in Alloy Semiconductors

et al. 2022

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“…The difference in the absolute values compared to the CV/UV-vis results could be caused by different electrostatic interactions, e.g., dipole, quadrupole or higher order moments, polarization and screening effects etc., as has been demonstrated before. [70][71][72]…”

Section: Comparison Of Energy Levels Homo Offsets and Transport Gapsmentioning

confidence: 99%

Spectroelectrochemically determined energy levels of PM6:Y6 blends and their relevance to solar cell performance

et al. 2022

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“…The past two decades have witnessed enormous growth in the field of electronics and technology. The introduction of band structure engineering in organic semiconducting materials has attracted intense interest. , Organic semiconductors serve as energy-efficient materials in fabricating organic photovoltaics (OPVs), organic field-effect transistors (OFET), and organic light-emitting diodes (OLEDs) by fine-tuning the energy levels of the frontier molecular orbitals . Small-molecule-based OPVs have high open circuit voltage, high mobility, and more easily controlled synthetic routes to produce diverse technologies comparable to those of polymer-based OPVs .…”

Section: Introductionmentioning

confidence: 99%

The Effect of Single-Atom Substitution on Structure and Band Gap in Organic Semiconductors

John

Narayanasamy

George

et al. 2022

Crystal Growth & Design

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We systematically altered the molecular structure of 5-methoxynaphtho [1,2-d]thiazole (NTH) by replacing the terminal hydrogen atom with halogens (Cl, Br, I) to study the effect of single-atom substitution in modulating the crystal packing and optical band gap. The parent compound (NTH) and Br and I derivatives of NTH crystallized in the same space group, wherein only Br-and I-substituted molecular crystals displayed isostructural interaction topologies. The crystal-packing similarities in structurally equivalent motifs were established using the numerical descriptors isostructurality (I s ) and cell similarity (π) indices. An energy framework analysis was implemented to obtain a qualitative picture of the 3D topology displaying the predominant interactions in supramolecular architectures of the NTH derivatives. A decrease in optical band gap from 3.48 to 3.07 eV was observed with an increasing atomic number of halogens in NTH derivatives, signifying the direct role of halogen atoms in the electronic properties of organic crystals. The reduction of the optical band gap in 5-methoxynaphtho [1,2-d]thiazole derivatives was visualized from the band structure and projected density of states obtained by employing DFT calculations. The outcome suggests the potential of halogenation in tailoring the optoelectronic properties of organic functional materials.

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Band gap engineering in blended organic semiconductor films based on dielectric interactions

Cited by 22 publications

References 57 publications

Energy Scales of Compositional Disorder in Alloy Semiconductors

Energy Scales of Compositional Disorder in Alloy Semiconductors

Spectroelectrochemically determined energy levels of PM6:Y6 blends and their relevance to solar cell performance

The Effect of Single-Atom Substitution on Structure and Band Gap in Organic Semiconductors

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