2024
A highly stable and efficient organic microcavity polariton laser
J. Witt, A. Mischok, F. Le Roux, M. C. Gather
MRS Communications (2024).
https://doi.org/10.1557/s43579-024-00543-6
Wireless magnetoelectrically powered organic light-emitting diodes
J. F. Butscher, S. Hillebrandt, A. Mischok, A. Popczyk, J. H. H. Booth, M. C. Gather
Sci. Adv. 10, eadm7613 (2024).
https://doi.org/10.1126/sciadv.adm7613
Flexible Phenanthracene Nanotubes for Explosive Detection
S. C. Rickert, S.-X. L. Luo, J. Bahr, J. Kohn, M. Xue, A. Hansen, S. Grimme, S.-S. Jester, T. M. Swager, S. Höger
J. Am. Chem. Soc. 2024, 146, 2986 – 2996.
https://doi.org/10.1021/jacs.3c08131
2023
Strong Light–Matter Interaction of Molecular Aggregates with Two Excitonic Transitions
R. Schäfer, L. Böhner, M. Schiek, D. Hertel, K. Meerholz, K. Lindfors
ACS Photonics 2024, 11, 1, 111–120.
https://doi.org/10.1021/acsphotonics.3c01042
Plasmon mediated coherent population oscillations in molecular aggregates
D. Timmer, M. Gittinger, T. Quenzel, S. Stephan, Y. Zhang, M. F. Schumacher, A. Lützen, M. Silies, S. Tretiak, J.-H. Zhong, A. De Sio & C. Lienau
Nat Commun 14, 8035 (2023).
https://doi.org/10.1038/s41467-023-43578-4
Growth of Hydrogen-Bonded Molecular Aggregates on a Thin Alkali Halide Layer: Quinacridone on KCl/Ag(100)
N. Humberg, Q. Guo, T. Bredow, M. Sokolowski
J. Phys. Chem. C 2023, 127, 49, 23814–23826.
https://doi.org/10.1021/acs.jpcc.3c04402
Theoretical Study on the Optoelectronic Properties of Merocyanine-Dyes
R. Tomar, L. Bernasconi, D. Fazzi, T. Bredow
J. Phys. Chem. A 2023, 127, 46, 9661–9671.
https://doi.org/10.1021/acs.jpca.3c04226
Efficient calculation of electronic coupling integrals with the dimer projection method via a density matrix tight-binding potential
J. T. Kohn, N. Gildemeister, S. Grimme, D. Fazzi, A. Hansen
J. Chem. Phys. 159, 144106 (2023).
https://doi.org/10.1063/5.0167484
Modular Bicyclophane-Based Molecular Platforms
D. Kalle, J. Bahr, T. J. Keller, J. B. Kleine Büning, S. Grimme, M. Bursch, S.-S. Jester, S. Höger
Chem. Eur. J. 2023, 29, e202302662.
https://doi.org/10.1002/chem.202302662
Orientation distributions of vacuum-deposited organic emitters revealed by single-molecule microscopy
F. Tenopala-Carmona, D. Hertel, S. Hillebrandt, A. Mischok, A. Graf, P. Weitkamp, K. Meerholz, M. C. Gather
Nat Commun 14, 6126 (2023).
https://doi.org/10.1038/s41467-023-41841-2
Impact of Truncation on Optoelectronic Properties of Azaborole Helicenes
J. Full, M. J. Wildervanck, C. Dillmann, S. P. Panchal, D. Volland, F. Full, K. Meerholz, A. Nowak-Król
Chem. Eur. J. 2023, 29, e202302808.
https://doi.org/10.1002/chem.202302808
Revealing the interplay between the structural complexity of triphenylamine redox derivatives and their charge transport processes via computational modeling
R. Herzhoff, F. Negri, K. Meerholz and D. Fazzi
J. Mater. Chem. C, 2023,11, 11969-11979.
https://doi.org/10.1039/D3TC02206D
Increasing the scan speed in high resolution, low energy electron diffraction measurements by presetting the gate time
A. J. Kny, M. Sokolowski, P. Kury
Rev. Sci. Instrum. 94, 064707 (2023).
https://doi.org/10.1063/5.0137991
An Exciplex-Based Light-Emission Pathway for Solution-State Electrochemiluminescent Devices
Chang-Ki Moon, J. F. Butscher, Malte C. Gather
Adv. Mater. 2023, 35, 2302544.
https://doi.org/10.1002/adma.202302544
A marvel of chiral squaraine aggregates: chiroptical spectra beyond the exciton model
D. Giavazzi, M. F. Schumacher, L. Grisanti, M. Anzola, F. Di Maiolo, J. Zablocki, A. Lützen, M. Schiek and A. Painelli
J. Mater. Chem. C, 2023,11, 8307-8321.
https://doi.org/10.1039/D2TC05555D
Chiral self-organized single 2D-layers of tetramers from a functional donor–acceptor molecule by the surface template effect
A. J. Kny, M. Reimer, N. Al-Shamery, R. Tomar, T. Bredow, S. Olthof, D. Hertel, K. Meerholz and M. Sokolowski
Nanoscale, 2023,15, 10319-10329.
https://doi.org/10.1039/D3NR00767G
Quantum Chemistry Insight into the Multifaceted Structural Properties of Two-Dimensional Covalent Organic Frameworks
J. T. Kohn, H. Li, A. M. Evans, J.-L. Brédas, and S. Grimme
Chem. Mater. 2023, 35, 7, 2820–2826.
https://doi.org/10.1021/acs.chemmater.2c03555
Quantum states in disordered media. I. Low-pass filter approach
F. Gebhard, A. V. Nenashev, K. Meerholz, S. D. Baranovskii
Phys. Rev. B 2023, 107, 064206.
https://doi.org/10.1103/PhysRevB.107.064206
Quantum states in disordered media. II. Spatial charge carrier distribution
A. V. Nenashev, S. D. Baranovskii, K. Meerholz, F. Gebhard
Phys. Rev. B 2023, 107, 064207.
https://doi.org/10.1103/PhysRevB.107.064207
2022
Energy Scales of Compositional Disorder in Alloy Semiconductors
S. D. Baranovskii, A. V. Nenashev, D. Hertel, F. Gebhard, K. Meerholz
ACS Omega 2022, 7, 50, 45741−45751.
https://doi.org/10.1021/acsomega.2c05426
An Azobenzene-Clamped Bichromophore
N. Schmickler, D. A. Hofmeister, J. Bahr, J. Schedlbauer, S.-S. Jester, J. M. Lupton, S. Höger
Organic Materials 2022, 4, 153 – 162.
https://doi.org/10.1055/a-1941-7757
Structural Disorder as the Origin of Optical Properties and Spectral Dynamics in Squaraine Nano-Aggregates
R. Bernhardt, M. Manrho, J. Zablocki, L. Rieland, A. Lützen, M. Schiek, K. Meerholz, J. Zhu, T. L. C. Jansen, J. Knoester, P. H. M. van Loosdrecht
J. Am. Chem. Soc. 2022, 144, 42, 19372 – 19381.
https://doi.org/10.1021/jacs.2c07064
Charge Delocalization and Vibronic Couplings in Quadrupolar Squaraine Dyes
D. Timmer, F. Zheng, M. Gittinger, T. Quenzel, D. C. Lünemann, K. Winte, Y. Zhang, M. E. Madjet, J. Zablocki, A. Lützen, J.-H. Zhong, A. De Sio, T. Frauenheim, S. Tretiak, C. Lienau
J. Am. Chem. Soc. 2022, 144, 41, 19150-19162.
https://doi.org/10.1021/jacs.2c08682
Tale of Two Bismuth Alkylthiolate Precursors’ Bifurcating Paths in Chemical Vapor Deposition
U. Atamtürk, E. Jung, T. Fischer, and S. Mathur
Chem. Mater. 2022, 34, 16, 7344–7356.
https://doi.org/10.1021/acs.chemmater.2c01351
Spotlight on Charge-Transfer Excitons in Crystalline Textured n-Alkyl Anilino Squaraine Thin Films
F. Balzer, N. J. Hestand, J. Zablocki, G. Schnakenburg, A. Lützen, M. Schiek
J. Phys. Chem. C 2022, 126, 32, 13802-13813.
https://doi.org/10.1021/acs.jpcc.2c03665
Exploring Structure−Property Relations of B,S-Doped Polycyclic Aromatic Hydrocarbons through the Trinity of Synthesis, Spectroscopy, and Theory
T. Jin, L. Kunze, S. Breimaier, M. Bolte, H.-W. Lerner, F. Jäkle, R. F. Winter, M. Braun, J.-M. Mewes, M. Wagner
J. Am. Chem. Soc. 2022, 144, 30, 13704−13716.
https://doi.org/10.1021/jacs.2c04516
Comment on “Interplay of Structural and Optoelectronic Properties in Formamidinium Mixed Tin-Lead Triiodide Perovskites”
S. D. Baranovskii, P. Höhbusch, A. V. Nenashev, A. V. Dvurechenskii, M. Gerhard, D. Hertel, K. Meerholz, M. Koch, F. Gebhard
Adv. Funct. Mater. 2022, 32, 2201309.
https://doi.org/10.1002/adfm.202201309
Computational study of ground-state properties of μ2-bridged group 14 porphyrinic sandwich complexes
J. Kohn, M. Bursch, A. Hansen, S. Grimme
J. Comput. Chem. 2023, 44(3), 229.
https://doi.org/10.1002/jcc.26870
Plasmon-enhanced exciton delocalization in squaraine-type molecular aggregates
T. Qenzel, D. Timmer, M. Gittinger, J. Zablocki, F. Zheng, M. Schiek, A. Lützen, T. Frauenheim, S. Tretiak, M. Silies, J.-H. Zhong, A. De Sio, C. Lienau
ACS Nano 2022, 16, 3, 4693-4704.
https://doi.org/10.1021/acsnano.1c11398
Increased Antiaromaticity through Pentalene Connection in [n]Cyclo-1,5-dibenzopentalenes
J. S. Wössner, J. Kohn, D. Wassy, M. Hermann, S. Grimme, B. Esser
Org. Lett. 2022, 24, 4, 983 – 988.
https://doi.org/10.1021/acs.orglett.1c03900
Quickstart guide to model structures and interactions of artificial molecular muscles with efficient computational methods
J. Kohn, S. Spicher, M. Bursch, S. Grimme
Chem. Commun., 2022, 58, 258-261.
https://doi.org/10.1039/d1cc05759f
2021
Single source precursor route to nanometric tin chalcogenides
V. Brune, N. Raydan, A. Sutorius, F. Hartl, B. Purohit, S. Gahlot, P. Bargiela, L. Burel, M. Wilhelm, C. Hegemann, U. Atamtürk, S. Mathur and S. Mishra
Dalton Trans., 2021, 50, 17346-17360.
https://doi.org/10.1039/D1DT02964A
The Impact of Chiral Citronellyl-Functionalization on Indolenine and Anilino Squaraine Thin Films
F. Balzer, M. F. Schumacher, S. Mattiello, M. Schulz, J. Zablocki, M. Schmidtmann, K. Meerholz, N. S. Sariciftci, L. Beverina, A. Lützen, M. Schiek
Isr. J. Chem. 2022, 62, e202100079.
https://doi.org/10.1002/ijch.202100079
PCM-ROKS for the Description of Charge-Transfer States in Solution: Singlet−Triplet Gaps with Chemical Accuracy from Open-Shell Kohn−Sham Reaction-Field Calculations
L. Kunze, A. Hansen, S. Grimme, J.-M. Mewes
J. Phys. Chem. Lett. 2021, 12, 35, 8470−8480.
https://doi.org/10.1021/acs.jpclett.1c02299
Influence of the choice of precursors on the synthesis of two-dimensional transition metal dichalcogenides
V. Brune, M. Grosch, R. Weißing, F. Hartl, M. Frank, S. Mishra, S. Mathur
Dalton Trans. 2021, 50, 12365–12385.
https://doi.org/10.1039/d1dt01397a
Understanding the structural and charge transport property relationships for a variety of merocyanine single-crystals: a bottom up computational investigation
N. Gildemeister, G. Ricci, L. Böhner, J. M. Neudörfl, D. Hertel, F. Würthner, F. Negri, K. Meerholz, D. Fazzi
J. Mater. Chem. C 2021, 9, 10851-10864.
https://doi.org/10.1039/d1tc01511g
Energy Scaling of Compositional Disorder in Ternary Transition-Metal Dichalcogenide Monolayers
H. Masenda, L. M. Schneider, M. AdelAly, S. J. Machchhar, A. Usman, K. Meerholz, F. Gebhard, S. D. Baranovskii, M. Koch
Adv. Electron. Mater. 2021, 7, 2100196.
https://doi.org/10.1002/aelm.202100196
Parametrization of the Gaussian Disorder Model to Account for the High Carrier Mobility in Disordered Organic Transistors
Y. Lee, S. Jung, A. Plews, A. Nejim, O. Simonetti, L. Giraudet, S. D. Baranovskii, F. Gebhard, K. Meerholz, S. Jung, G. Horowitz, and Y. Bonnassieux
Phys. Rev. Applied 15, 024021.
https://doi.org/10.1103/PhysRevApplied.15.024021