SFB 1249
 

 

 

 

2017

1.

Time-Dependent Extension of the Long-Range Corrected Density Functional Based Tight-Binding Method
Julian J. Kranz, Marcus Elstner, Bálint Aradi, Thomas Frauenheim, Vitalij Lutsker, Adriel Dominguez Garcia and Thomas A. Niehaus
J. Chem. Theory Comput. 2017, 13 (4), 1737–1747.

2.

Planar versus triptycenylene end-capped aroyleneimidazoles as electron acceptors in organic photovoltaics
Elisabeth H. Menke, David Leibold, Alexander P. Ullrich, Yana Vaynzof, Michael Mastalerz
Org. Chem. Front. 2017, 4, 834-838.

3.

Triptycene-trisaroyleneimidazoles as non-fullerene acceptors – Influence of side-chains on solubility, device morphology and Performance
Elisabeth H. Menke, David Leibold, Vincent Lami, Y. J. Hofstetter, Michael Mastalerz, Yana Vaynzof
Org. Electronics 2017, 47, 211-219.

4.

K-region extended [c]-heteroannulated Pyrenes
Kevin Baumgärtner, Tobias Kirschbaum, Fabian Krutzek, Andreas Dreuw, Frank Rominger, Michael Mastalerz
Chem. Eur. J. 2017
# DOI: 10.1002/chem.201703988 #

 
5.

Electronic structure changes during the on-surface synthesis of nitrogen-doped chevron-shaped graphene nanoribbons
F. Maaß, M. Utecht, S. Stremlau, M. Gille, J. Schwarz, S. Hecht, T. Klamroth and P. Tegeder
Phys. Rev. B 201796, 045434.
# DOI:https://doi.org/10.1103/PhysRevB.96.045434

6.

Triisopropylsilylethynyl-Pentacene on Au(111): Adsorption Properties, Electronic Structure and Singlet-Fission Dynamics
A. Stein, F. Maass and P. Tegeder
J. Phys. Chem. C 2017121, 18075-18083.
# DOI: 10.1021/acs.jpcc.7b06340 #

7.

Adsorbate-mediated relaxation dynamics of hot electrons at metal/organic interfaces
D. Gerbert and P. Tegeder
Phys. Rev. B 201796, 144304.
# DOI: https://doi.org/10.1103/PhysRevB.96.144304 #

8.

Molecular Ion Formation by Photo-Induced Electron Transfer at the Tetracyanoquinodimethane/Au(111) Interface
D. Gerbert and P. Tegeder
J. Phys. Chem. Lett. 20178, 4685-4690.
# DOI: 10.1021/acs.jpclett.7b01897 #   

9.

Preparation, Properties and Structures of the Anions and Dianions of Azapentacenes
L. Ji, A. Friedrich, I. Krummenacher, A. Eichhorn, H. Braunschweig, M. Moos, S. Hahn, F. Geyer, O. Tverskoy, J. Han, C. Lambert, A. Dreuw, T. Marder, U. H. F. Bunz
J. Am. Chem. Soc. 2017, 139, 15968-15976.

10.

N-Heteroacenes as a New Class of Non-Fullerene Electron Acceptors for Organic Bulk-Heterojunction Photovoltaic Devices
V. Lami, D. Leibold, P. Fassl, Y. Hofstetter, D. Becker-Koch, P. Biegger, F. Paulus, P. Hopkinson, M. Adams, U. H. F. Bunz, S. Huettner, I. Howard, A. Bakulin, Y. Vaynzof
RRL Solar 20171 (6), 1700053.

11.

Synthesis and Characterization of Heterobenzenacyclo-octaphanes Derived from Cyclotetrabenzoin
S. Hahn, M. Alrayyani, A. Sontheim, X. Wang, F. Rominger, O. Miljanic, U. H. F. Bunz
Chem. Eur. J. 201723, 10543-10550.

12.

Alkyne-Substituted N-Heterophenes
S. Hahn, F. Rominger, S. Koser, O. Tverskoy, A. Dreuw, M. Hodecker, U. H. F. Bunz
Chem. Eur. J. 201723, 8148-8151.

13.

Dicyano-Substituted Diazaacenes
M. Müller, S. Beglaryan, S. Koser, S. Hahn, O. Tverskoy, F. Rominger, U. H. F. Bunz
Chem. Eur. J.  2017,  23, 7066-7073.

14.

Dibenzobarrelene-Based Azaacenes: Emitters in Organic Light-Emitting Diodes
M. Ganschow, S. Koser, S. Hahn, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 201723, 4415-4421.

15.

(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors
L. Hahn, A. Hermannsdorfer, B. Günther, T. Wesp, B. Bühler, U. Zschieschang, H. Wadepohl, H. Klauk,  L. H. Gade
J. Org. Chem. 201782, 12492.

16.

Triptycene-Bis(aroyleneimidazole)s as non-fullerene acceptors: the missing links
E. Menke, D. Leibold, F. J. Berger, F. Rominger, Y. Vaynzof and M. Mastalerz
ChemPlusChem 201782 (12), 1390-1395.

17.
Surface-Enhanced Infrared Spectroscopy Using Resonant Nanoantennas
Frank Neubrech, Christian Huck, Ksenia Weber, Annemarie Pucci and Harald Giessen
Chem. Rev. 2017, 117 (7), 5110–5145.
# DOI: 10.1021/acs.chemrev.6b00743 #
 
18.
Electric-Field-Controlled Dopant Distribution in Organic Semiconductors
Lars Müller, Seon-Young Rhim, Vipilan Sivanesan, Dongxiang Wang, Sebastian Hietzschold, Patrick Reiser, Eric Mankel, Sebastian Beck, Stephen Barlow, Seth R. Marder, Annemarie Pucci, Wolfgang Kowalsky, Robert Lovrincic
Advanced Materials 2017, 1701466.
# DOI: 10.1002/adma.201701466 #
 
19.
Electron injection and interfacial trap passivation in solution-processed organic light-emitting diodes using a polymer zwitterion interlayer
Marta Ruscello, Sebastian Stolz, D. Leonardo Gonzalez Arellano, Florian Ullrich, Sabina Hillebrandt, Eric Mankel, Annemarie Pucci, Wolfgang Kowalsky, Todd Emrick, Alejandro L. Briseno, Gerardo Hernandez-Sosa
Organic Electronics 2017, 50, 384-388.
 
20.
One-Dimensional Plasmonic Excitations in Gold-Induced Superstructures on Si(553): Impact of Gold Coverage and Silicon Step Edge Polarization
Fabian Hötzel, Nils Galden, Sebastian Baur and Annemarie Pucci
J. Phys. Chem. C 2017, 121 (14), 8120–8127.
# DOI: 10.1021/acs.jpcc.6b11753 #
 
21.
Functionalized Nickel Oxide Hole Contact Layers: Work Function versus Conductivity
Sebastian Hietzschold, Sabina Hillebrandt, Florian Ullrich, Jakob Bombsch, Valentina Rohnacher, Shuangying Ma, Wenlan Liu, Andreas Köhn, Wolfram Jaegermann, Annemarie Pucci, Wolfgang Kowalsky, Eric Mankel, Sebastian Beck and Robert Lovrincic
ACS Applied Materials & Interfaces 20179, 39821-39829.
# DOI: 10.1021/acsami.7b12784 #
 

 

2018

22.

The Gold(I)-Mediated Domino Reaction to Fused Diphenyl Phosphoniumfluorenes: Mechanistic Consequences for Gold-Catalyzed
Hydroarylations and the Application in Solar Cells

Sebastian Arndt, Jan Borstelmann, Rebeka Eshagh Saatlo, Patrick W. Antoni, Frank Rominger, Matthias Rudolph, Qingzhi An, Yana Vaynzof, A. Stephen K. Hashmi
Chem. Eur. J. 2018, 24, 7882-7889.

23.

A Golden Access to Acenopentalenes
Thomas Wurm, Elias C. Rüdiger, Jürgen Schulmeister, Silke Koser, Matthias Rudolph, Frank Rominger, Uwe H. F. Bunz, A. Stephen K. Hashmi
Chem. Eur. J. 2018, 24, 2735-2740.

24.

Gold(III)-Catalyzed Site-Selective and Divergent Synthesis of 2-Aminopyrroles and Quinoline-Based Polyazaheterocycles
Zhongyi Zeng, Hongming Jin, Matthias Rudolph, Frank Rominger, A. Stephen K. Hashmi
Angew. Chem. 2018, 130, 16787-16791. 
Angew. Chem. Int. Ed. 2018, 57, 16549-16553.

25.

N-Heterocycle-Fused Pentalenes by a Gold-Catalyzed Annulation of Diethynyl-Quinoxalines and -Phenazines
Kohei Sekine, Fabian Stuck, Jürgen Schulmeister, Thomas Wurm, Dominik Zetschok, Frank Rominger, Matthias Rudolph, A. Stephen K. Hashmi
Chem. Eur. J. 2018, 24, 12515-12518.

26.

Benzopyrano-fused N-heterocyclic Polyaromatics
Sven M. Elbert, Martin Reinschmidt, Kevin Baumgärtner, Frank Rominger, Michael Mastalerz
Eur. J. Org. Chem. 2018, 532 - 536.

27.

Gulf-Selective Post-Synthetic Functionalization of a Soluble Hexabenzoovalene
Kevin Baumgärtner, Frank Rominger, Michael Mastalerz
Chem. Eur. J. 2018, 35, 8751-8755.

28.

A Nickel-Salphen Type Complex with  a Heteropicene Backbone
Sven M. Elbert, Frank Rominger, Michael Mastalerz
ZAAC 2018, 14, 606-610.

29.

Cata-condensed Heteroannulated Coronenes via Selective Bromination of Diarenoperylenes as Key-Step
Xuan Yang, Frank Rominger, Michael Mastalerz
Org. Lett. 2018, 20, 7270-7273.

30.

Formation of occupied and unoccupied hybrid bands at interfaces between metals and organic donors/acceptors
David Gerbert, Oliver T. Hofmann and Petra Tegeder
J. Phys. Chem. C 2018122, 27554-27560.
# DOI: 10.1021/acs.jpcc.8b09606 #

31. 2-Dimensional Nonlinear Optical Switching Materials: Molecular Engineering towards High Nonlinear Optical Contrasts
Marc Hänsel, Christoph Barta, Clemens Rietze, Manuel Utecht, Karola Rück-Braun, Peter Saalfrank and Petra Tegeder
J. Phys. Chem C 2018122, 25555-25564.
# DOI: 10.1021/acs.jpcc.8b08212 #
32.

Binding energies of benzene on coinage metal surfaces: Equal stability on different metals
Friedrich Maass, Yingda Jiang, Wei Liu, Alexandre Tkatchenko and Petra Tegeder
J. Chem. Phys. 2018148, 214703.
# DOI: https://aip.scitation.org/doi/10.1063/1.5030094 #    "Editor´s picks"

33. Dependence of the adsorption height of graphenelike adsorbates on their dimensionality
S. Weiß, D. Gerbert, A. Stein, A. K. Schenk, X. Yang, C. Brülke, R. Kremring, S. Feldmann, F. C. Bocquet, M. Gille, S. Hecht, M. Sokolowski, P. Tegeder, S. Soubatch and F. S. Tautz
Phys. Rev. B 201898, 075410.
# DOI: https://doi.org/10.1103/PhysRevB.98.075410 #
34.

Quantitative Analysis of the Density of Trap States in Semiconductors by Electrical Transport Measurements on Low-Voltage Field-Effect Transistors
M. Geiger, L. Schwarz, U. Zschieschang, D. Manske, J. Pflaum, J. Weis, H. Klauk, R. T. Weitz

Physical Review Applied 2018, vol. 10, 044023.

35.

Stencil lithography for organic thin-film transistors with a channel length of 300 nm
U. Zschieschang, J. W. Borchert, M. Geiger, F. Letzkus, J. N. Burghartz, H. Klauk
Organic Electronics 2018, vol. 61, 65.

36. Probing Charge Transfer States at Organic and Hybrid Internal Interfaces by Photothermal Deflection Spectroscopy
D. Becker-Koch, B. Rivkin, F. Paulus, H. Xiang, Y. Dong, Z. Chen, A. Bakulin and Y. Vaynzof
J. Phys. Condens. Mater. 2018,
# DOI: https://doi.org/10.1088/1361-648X/aafa4e #
37.
Impact of Metal-Optical Properties on Surface-Enhanced Infrared Absorption
Michael Tzschoppe, Christian Huck, Jochen Vogt, Frank Neubrech and Annemarie Pucci
J. Phys. Chem. C 2018, 122 (27), 15678-15687.
# DOI: 10.1021/acs.jpcc.8b04209 #
38.
Structure − Property Relationship of Phenylene-Based Self-Assembled Monolayers for Record Low Work Function of Indium Tin Oxide
Frank S. Benneckendorf, Sabina Hillebrandt, Florian Ullrich, Valentina Rohnacher, Sebastian Hietzschold, Daniel Jänsch, Jan Freudenberg, Sebastian Beck, Eric Mankel, Wolfram Jaegermann, Annemarie Pucci, Uwe H. F. Bunz and Klaus Müllen
J. Phys. Chem. Lett. 2018, 9, 3731–3737.
# DOI: 10.1021/acs.jpclett.8b01242 #
39.
Dopant Diffusion in Sequentially Doped Poly(3-hexylthiophene) Studied by Infrared and Photoelectron Spectroscopy
Patrick Reiser, Lars Müller, Vipilan Sivanesan, Robert Lovrincic, Stephen Barlow, Seth R. Marder, Annemarie Pucci, Wolfram Jaegermann, Eric Mankel and Sebastian Beck
J. Phys. Chem. C2018122 (26), 4518–14527.
# DOI: 10.1021/acs.jpcc.8b02657 #
40.
C70 increases the plasmonic signal of gold-atom chains on Si(553)
Michael Tzschoppe, Christian Huck, Fabian Hötzel and Annemarie Pucci

SurfaceScience 2018, 678, 32–37.
41.

Efficient n-Doping and Hole Blocking in Single-Walled Carbon Nanotube Transistors with 1,2,4,5-Tetrakis(tetramethylguanidino)benzene
S. Schneider, M. Brohmann, R. Lorenz, Y. J. Hofstetter, M. Rother, E. Sauter, M. Zharnikov, Y. Vaynzof, H.-J. Himmel, J. Zaumseil
ACS Nano 2018, 12 (6), 5895–5902.
# https://pubs.acs.org/doi/10.1021/acsnano.8b02061 #

42.

Gold-Catalyzed Facile Synthesis and Crystal Structures of Benzene-/Naphthalene-based Bispentalenes as Organic Semiconductors
K. Sekine, J. Schulmeister, F. Paulus, K. P. Goetz, F. Rominger, M. Rudolph, J. Zaumseil, A. S. K. Hashmi
Chem. Eur. J. 2018, 25 (1), 216-220.
# https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201805637 #

43. Stabilization by Benzannulation: Butterfly-Azaacenes
M. Müller, H. Reiss, O. Tverskoy, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 2018, 24, 12801-12805.
44. Azaacenes Bearing Five-Membered Rings
M. Ganschow, S. Koser, M. Hodecker, F. Rominger, J. Freudenberg, A. Dreuw, U. H. F. Bunz
Chem. Eur. J. 2018, 24, 13667-13675.
45. Bromination Improves Tetraazapentacene's Electron Mobilities
H. Reiss, L. Ji, J. Han, S. Koser, O. Tverskoy, J. Freudenberg, F. Hinkel, M. Moos, A. Friedrich, I. Krummenacher, C. Lambert, H. Braunschweig, A. Dreuw, T. Marder, U. H. F. Bunz
Angew. Chem. Int. Ed. 2018, 57, 9543-9547.       
46. Synthesis and Characterization of Two Different Azarubrenes
G. Xie, S. Hahn, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Comm. 2018, 54, 7593-7596.       
47. Yamamoto Coupling for the Synthesis of Benzophenes and Acene-based Cyclooctatetraenes
E. Rüdiger, S. Koser, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 2018, 24, 9919-9927.
48. "Butterfly Wings" Stabilize Heptacene 
M. Müller, E. Rüdiger, S. Koser, O. Tverskoy, F. Rominger, F. Hinkel, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 2018, 24, 8087-8091.
49. Triptycenyl-phenazino-thiadiazole as acceptor in organic bulk-heterojunction solar cells
D. Leibold, V. Lami, Y. J. Hofstetter, D. Becker-Koch, A. Weu, P. Biegger, F. Paulus, U. H. F. Bunz, P. E. Hopkinson, A. A. Bakulin, Y. Vaynzof
Org. Electron. 2018, 57, 285-291.
50. Phenylene Bridged Cyclic Azaacenes: Dimers and Trimers
S. Hahn, S. Koser, M. Hodecker, P. Seete, F. Rominger, O. Miljanic, A. Dreuw, U. H. F. Bunz
Chem. Eur. J. 2018, 24, 6968-6974.       
51. Tetraazapentacene constructs: controlling bulk-morphology through molecular dimensionality
F. Geyer, S. Koser, M. Bojanowski, F. Ullrich , V. Brosius, S. Hahn, K. Broedner, E. Mankel, T. Marszalek, W. Pisula, F. Hinkel, U. H. F. Bunz
Chem. Comm. 2018, 54, 1045-1048.       
52. Dibenzohexacene: Stabilization Through Additional Clar Sextets
E. C. Rüdiger, M. Müller, S. Koser, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 2018, 24, 1036–1040.       
53.

Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules
Q. Vuong et. al.
J. Chem. Theory Comput. 2018, 14, 11.

54.

Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning
J. J. Kranz,  M. Kubillus, R. Ramakrishnan, O. A. von Lilienfeld and M. Elstner
J. Chem. Theory Comput. 2018, 14, 2341.

55. Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(II) synthon: reaction pathways and dead ends
Lukas S. Merz, Hubert Wadepohl, Eric Clot and Lutz H. Gade
Chem. Sci. 2018, 9, 5223-5232.
56.

Isolation and Structural Characterization of a Titanacyclopropane as Key Intermediate in the Double Aryl Grignard Addition to 2-(Arylethynyl)pyridine Derivatives
F. Foschi, T. Roth, M. Enders, H. Wadepohl, E. Clot, L. H. Gade
Chem. Commun. 2018, 54, 2228.

 

2019

57.

Tailoring Ultrafast Singlet Fission by the Chemical Modification of Phenazinothiadiazoles
Nicolò Alagna, Jie Han, Nikolaus Wollscheid, J. Luis Perez Lustres, Julia Herz, Sebastian Hahn, Silke Koser, Fabian Paulus, Uwe H. F. Bunz, Andreas Dreuw, Tiago Buckup and Marcus Motzkus
J. Am. Chem. Soc. 2019141 (22), 8834-8845.

58.

Similarities and differences of the Lagrange formalism and the intermediate state representation in the treatment of molecular properties
M. Hodecker, D. R. Rehn, A. Dreuw, S. Höfener
J. Chem. Phys. 2019150, 164125.
# DOI: dx.doi.org/10.1063/1.5093606 #

59.

Understanding UV-Vis Spectra of Halogenated Tetraazaperopyrenes (TAPPs): A Computational Study
S. Höfener, B. A. R. Günther, M. E. Harding, L. H. Gade
J. Phys. Chem. 2019, A 123, 3160.
# DOI: dx.doi.org/10.1021/acs.jpca.8b12296 #

60.

Achieving Ultralow Turn-On Voltages in Organic Thin-Film Transistors: Investigating Fluoroalkylphosphonic Acid Self-Assembled Monolayer Hybrid Dielectrics
R. Acharya, B. Peng, P. K. L. Chan, G. Schmitz, H. Klauk
ACS Appl. Mater. Interfaces 201911, 27104-27111.

61.

Small contact resistance and high-frequency operation of flexible low-voltage inverted coplanar organic transistors
J. W. Borchert, B. Peng, F. Letzkus, J. N. Burghartz, P. K. L. Chan, K. Zojer, S. Ludwigs, H. Klauk
Nature Commun. 201910, 1119.

62.

Enhancing the Open-Circuit Voltage of Perovskite Solar Cells by up to 120 mV Using π-Extended Phosphoniumfluorene Electrolytes as Hole Blocking Layers
Qingzhi An, Qing Sun, Andreas Weu, David Becker-Koch, Fabian Paulus, Sebastian Arndt, Fabian Stuck, A. Stephen K. Hashmi, Nir Tessler, Yana Vaynzof
Adv. Energy Mater. 20199, 1901257.

63.

Frozen-density embedding employing configuration interaction as a subsystem method
N. Schieschke, T. Bodenstein, S. Höfener
Mol. Phys. 2019, available online.
# DOI: dx.doi.org/10.1080/00268976.2019.1665726 #

64.

N-Acenoacenes
L. Ahrens, S. Hahn, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 201925 (64), 14522-14526

65.

Low-energy Electronic Excitations of N-Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum-Chemical Calculations
J. Thusek, M. Hoffmann, O. Hübner, O. Tverskoy, U. H. F. Bunz, A. Dreuw, H.-J. Himmel
Chem. Eur. J. 201925, 15147-15154.

66.

Optical Spectra and Fluorescence Quenching in Azaacenes Bearing Five-Membered Rings
M. Hodecker, M. Ganschow, M. Abu-Odeh, U. H. F. Bunz, A. Dreuw
ChemPhotoChem 20193, 755-762.

67.

N-Heteroacenes and N-Heteroarenes as N-Nanocarbon Segments
J. Freudenberg, U. H. F. Bunz
Acc. Chem. Res. 201952, 1575-1587.

68.

Mono- and Dianion of a Bis(benzobuta)tetraazapentacene Derivative
L. Ji, S. Hahn, P. Biegger, H. Reiss, J. Han, A. Friedrich, I. Krummenacher, H. Braunschweig, M. Moos, J. Freudenberg, C. Lambert, A. Dreuw, T. Marder, U. H. F. Bunz
Chem. Eur. J. 201925, 9840-9845.

69.

Azaarene-Dimers
S. Hahn, J. Butscher, Q. An, A. Jocic, O. Tverskoy, M. Richter, X. Feng, F. Rominger, Y. Vaynzof, U. H. F. Bunz
Chem. Eur. J. 201925, 7285-7291.

70.

Thiadiazolo-Azaacenes
M. Müller, S. Koser, O. Tverskoy, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 201925, 6082-6086.

71.

Helical Ullazine-Quinoxaline-Based Polycyclic Aromatic Hydrocarbons
M. Richter, S. Hahn, E. Dmitrieva, F. Rominger, A. Popov, U. H. F. Bunz, X. Feng, R. Berger
Chem. Eur. J. 201925, 1345-1352.

72.

The Effect of Side-Chain Length on the Microstructure and Processing Window of Zone-Cast Naphthalene-Based Bispentalenes
K. P. Goetz, K. Sekine, F. Paulus, Y. Zhong, D. Roth, D. Becker-Koch, Y. J. Hofstetter, E. Michel, L. Reichert, F. Rominger, M. Rudolph, S. Huettner, Y. Vaynzof, E. M. Herzig, A. S. K. Hashmi, J. Zaumseil
J. Mater. Chem. C 20197, 13493-13501.
https://pubs.rsc.org/en/content/articlelanding/2019/TC/C9TC04470A#divAbstract

73.

Oxygen-catalysed sequential singlet fission
Nikolaus Wollscheid, J. Luis Pérez Lustres, Oskar Kefer, Sebastian Hahn, Victor Brosius, Uwe H. F. Bunz, Marcus Motzkus & Tiago Buckup
Nature Communications 2019, 10 (5202).
# DOI: 10.1038/s41467-019-13202-5 #
https://www.nature.com/articles/s41467-019-13202-5

74.

Electronic Structure of an Iron-Porphyrin Derivative on Au(111)
Arnulf Stein, Daniela Rolf, Christian Lotze, Constantin Czekelius, Katharina J. Franke and Petra Tegeder
J. Phys.: Condens Matter, 2019, 31, 044002 (7pp).
# doi.org/10.1088/1361-648X/aaf296 #

75.

Nonadditivity of the Adsorption Energies of Linear Acenes on Au(111): Molecular Anisotropy and Many-Body Effects
Friedrich Maass, Mohsen Ajdari, Fairoja Cheenicode Kabeer, Maximilian Vogtland, Alexandre Tkatchenko and Petra Tegeder
J. Phys. Chem. Lett. 2019, 10, 1000-1004.
# DOI: 10.1021/acs.jpclett.9b00265 #

76.

Correlation of Vibrational Excitations and Electronic Structure with Submolecular Resolution
Daniela Rolf, Friedrich Maaß, Christian Lotze, Constantin Czekelius, Benjamin W. Heinrich, Petra Tegeder, and Katharina J. Franke
J. Phys. Chem. C 2019, 123, 7425-7430
# DOI: 10.1021/acs.jpcc.8b11776 #

77.

Excited States Dynamics in Perylene-Based Organic Semiconductor Thin Films: Theory Meets Experiment
Sara Wirsing, Marc Hänsel, Valentina Belova, Frank Schreiber, Katharina Broch, Bernd Engels and Petra Tegeder
J. Phys. Chem. C, 2019, 123, 27561-27572.
# https://doi.org/10.1021/acs.jpcc.9b07511 #

 
78.

Mobility of charge carriers in self-assembled monolayers
Zhihua Fu, Tatjana Ladnorg, Hartmut Gliemann, Alexander Welle, Asif Bashir, Michael Rohwerder, Qiang Zhang, Björn Schüpbach, Andreas Terfort and Christof Wöll
Beilstein J. Nanotechnol. 2019, 10, 2449-2458.
# DOI: 10.3762/bjnano.10.235 #

 
79.

Microporous Triptycene-Based Affinity Materials on Quartz Crystal Microbalances for Tracing of Illicit Compounds
Ephraim Prantl, Bernd Kohl, Dimitrij Ryvlin, Philipp Biegger, Hubert Wadepohl, Frank Rominger, Uwe H. F. Bunz, Michael Mastalerz, Siegfried R. Waldvogel
ChemPlusChem 2019, 84, 1239-1244.

80.

Functionalized Contorted Polycyclic Aromatic Hydrocarbons by a One-Step Cyclopentannulation and Regioselective Triflyloxylation
Xuan Yang, Marvin Hoffmann, Frank Rominger, Tobias Kirschbaum, Andreas Dreuw, Michael Mastalerz
Angew. Chem. Int. Ed. 2019, 58, 10650-10654.

81.

Triptycene End-Capped Quinoxalinophenanthrophenazines (QPPs): Influence of Substituents and Conditions on Aggregation in the Solid State
Lucas Ueberricke, Daniel Holub, Julian Kranz, Frank Rominger, Marcus Elstner, Michael Mastalerz
Chem. Eur. J. 2019, 25, 11121-11134.

82.

Quinoxalinophenanthrophenazines (QPPs) and Hexabenzoovalenes (HBOs) - Proving the Solubility Enhancement by Triptycene End-Capping
Bernd Kohl, Kevin Baumgärtner, Frank Rominger, Michael Mastalerz
Eur. J. Org. Chem. 2019, 4891-4896.

83.

Triptycene End-capped Quinoxalinophenanthrophenazines (QPPs) with Aromatic Substitutents - Synthesis, Characterization and Single-Crystal Structure Analysis
Lucas Ueberricke, Sonja Wieland, Frank Rominger, Michael Mastalerz
Organic Materials 2019, 1, 50-62.

84.

Contorted Polycyclic Aromatic Hydrocarbons with Two Embedded Azulene Units
Xuan Yang, Frank Rominger, Michael Mastalerz
Angew. Chem. Int. Ed. 2019, 58, 17577-17582.

85. Twisting the TAPPs: Bay-Substituted Non-planar Tetraazaperopyrenes and their Reduced Anions
B. A. R. Günther, S. Höfener, U. Zschieschang, H. Wadepohl, H. Klauk, L. H. Gade
Chem. Eur. J. 2019, 25, 14669.
86. Gold-Catalyzed Facile Synthesis and Crystal Structures of Benzene-/Naphthalene-Based Bispentalenes as Organic Semiconductors
Kohei Sekine, Jürgen Schulmeister, Fabian Paulus, Katelyn P. Goetz, Frank Rominger, Matthias Rudolph, Jana Zaumseil, A. Stephen K. Hashmi
Chem. Eur. J. 2019, 25, 216-220.
87. n-Type Doping of Organic Semiconductors: Immobilization via Covalent Anchoring
P. Reiser, F. S. Benneckendorf, M.-M. Barf, L. Müller, R. Bäuerle, S. Hillebrandt, S. Beck, R. Lovrincic, E. Mankel, J. Freudenberg, D. Jänsch, W. Kowalsky, A. Pucci, W. Jaegermann, U. H. F. Bunz, K. Müllen
Chem. Mater. 2019, 31, 4213-4221.
88. How adsorbates alter the metallic behavior of quasi-one-dimensional electron systems of the Si(553)-Au surface
M. Tzschoppe, C. Huck, F. Hötzel, B. Günther, Z. Mamiyev, A. Butkevich, C. Ulrich, L. H. Gade, A. Pucci
J. Phys. Condens. Matter 2019, 31, 195001.
89. Pristine Poly(para-phenylene): Relating Semiconducting Behavior to Kinetics of Precursor Conversion
K.-P. Strunk, A. Abdulkarim, S. Beck, T. Marszalek, J. Bernhardt, S. Koser, W. Pisula, D. Jänsch, J. Freudenberg, A. Pucci, U. H. F. Bunz, C. Melzer, K. Müllen
ACS Appl. Mater. Interfaces 2019, 11, 19481-19488.
90. A Tetrapodal Diazatriptycene Enforces Orthogonal Orientation in Self-Assembled Monolayers
F. S. Benneckendorf, V. Rohnacher, E. Sauter, S. Hillebrandt, M. Münch, C. Wang, S. Casalin, K. Ihrig, S. Beck, D. Jänsch, J. Freudenberg, W. Jaegermann, P. Samori, A. Pucci, U. H. F. Bunz, M. Zharnikov, K. Müllen
ACS Appl. Mater. Interfaces 2019
# https://doi.org/10.1021/acsami.9b16062 #
91. Phase transitions´ in quantum confinements: Inducing mobility of Xenon atoms in the pores of an on-surface network
A. Ahsan, S. F. Mousavi, T. Nijs, S. Nowakowska, O. Popova, A. Wäckerlin, J. Björk, L. H. Gade, T. A. Jung
Small 2019, 15, 1803169.
92. Watching nanostructure growth: Kinetically controlled diffusion and condensation of Xe in a surface metal organic network
A. Ahsan, S. F. Mousavi, T. Nijs, S. Nowakowska, O. Popova, A. Wäckerlin, J. Björk, L. H. Gade, T. A. Jung
Nanoscale 2019, 11, 4895.
93. Effective determination of surface potential landscapes from metal-organic nanoporous overlayers
I. Piquero-Zulaica, Z. M. Abd El-Fattah, O. Popova, S. Kawai, S. Nowakowska, M Matena, M. Enache, M. Stöhr, A. Tejeda, A. Taleb, J. E. Ortega, L. H. Gade, T. A. Jung, J. Lobo-Checa
New J. Phys. 2019, 21, 053004.
94. Efficient implementation of the non-Dyson third-order algebraic diagrammatic construction approximation for the electron propagator for closed- and open-shell molecules
A. L. Dempwolff, M. Schneider, M. Hodecker and A. Dreuw
J. Chem. Phys. 2019, 150, 064108.
95. Electron-Hole Correlation as Unambiguous and Universal Classification for the Nature of Low-Lying ππ* States of Nitrogen Heterocycles
M. Hoffmann, S. A. Mewes, S. Wieland, C. Popp and A. Dreuw
J. Phys. Chem. Lett. 2019, 10, 6112.
96. Singlet Fission in Tetraaza-TIPS-Pentacene Oligomers: From fs Excitation to µs Triplet Decay via the Biexcitonic State 
N. Alagna, J. L. Pérez Lustres, N. Wollscheid, Q. Luo, J. Han, A. Dreuw, F. L. Geyer, V. Brosius, U. H. F. Bunz, T. Buckup and M. Motzkus
J. Phys. Chem. B 2019, 123, 10780.
97. Algebraic Diagrammatic Construction for the Polarisation Propagator in Combination with Effective Fragment Potentials
R. Sen, A. Dreuw and S. Faraji
Phys. Chem. Chem. Phys. 2019, 21, 3683.
98. Rapid multiple-quantum three-dimensional fluorescence spectroscopy disentangles quantum pathways
S. Mueller, J. Lüttig, P. Malý, L. Ji, J. Han, M. Moos, T. B. Marder, U. H. F. Bunz, A. Dreuw, C. Lambert and T. Brixner
Nat. Commun. 2019, 10, 473995.
99. 2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization
H. Hoffmann, D. Mukanov, M. Ganschow, F. Rominger, J. Freudenberg, U. H. F. Bunz
J. Org. Chem. 2019, 84, 9826-9834.
100. Unusual Stabilization of Larger Acenes and Heteroacenes
M. Müller, L. Ahrens, V. Brosius, J. Freudenberg, U. H. F. Bunz
J. Mater. Chem. C 2019, 7, 14011-14034.
 

2020

101.

A Chiral Polycyclic Aromatic Hydrocarbon Monkey Saddle
Tobias Kirschbaum, Frank Rominger, Michael Mastalerz
Angew. Chem. Int. Ed. 2020, 59, 270-274.

102.

Deposition-Dependent Morphology and Infrared Vibrational Spectra of Brominated Tetraazaperopyrene Layers
M. Tzschoppe, C. Huck, B. Günther, M. Matthiesen, C. Ulrich, J. N. Rose, A. Butkevich, V. Rohnacher, L. H. Gade, J. Zaumseil, A. Pucci
J. Phys. Chem. C 2020, 124, 769-779.

103.

Luminogens for Aggregation-Induced Emission via Titanium-Mediated Double Nucleophilic Addition to 2,5-Dialkynylpyridines: Formation and Transformation of the Emitting Aggregates
F. Foschi, K. Synnatschke, S. Grieger, W.-S. Zhang, H. Wadepohl, R. R. Schröder, C. Backes, L. H. Gade
Chem. Eur. J. 2020, 26, 4269-4280.
(Cover article: https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202000376)

104.

Perhalogenated Tetraazaperopyrenes and their corresponding Mono- and Dianions
B. A. R. Günther, S. Höfener, R. Eichelmann, U. Zschieschang, H. Wadepohl, H. Klauk, L. H. Gade
Org. Lett. 2020, 22, 2298.

105.

Roadmap to Gigahertz Organic Transistors
U. Zschieschang, J. W. Borchert, M. Giorgio, M. Caironi, F. Letzkus, J. N. Burghartz, U. Waizmann, J. Weis, S. Ludwigs, H. Klauk
Advanced Functional Materials  2020, 30, 1903812.

106.

Effect of the Degree of the Gate-Dielectric Surface Roughness on the Performance of Bottom-Gate Organic Thin-Film Transistors
M. Geiger, R. Acharya, E. Reutter, T. Ferschke, U. Zschieschang, J. Weis, J. Pflaum, H. Klauk, R. T. Weitz
Advanced Materials Interfaces 2020, 7, 1902145.

107.

Flexible low-voltage high-frequency organic thin-film transistors
J. W. Borchert, U. Zschieschang, F. Letzkus, M. Giorgio, R. T. Weitz, M. Caironi, J. N. Burghartz, S. Ludwigs, H, Klauk
Science Advances 2020, 6, eaaz5156.

108.

AFM-IR and IR-SNOM for the Characterization of Small Molecule Organic Semiconductors
V. J. Rao, M. Matthiesen, K. P. Goetz, C. Huck, C. Yim, R. Siris, J. Han, S. Hahn, U. H. F. Bunz, A. Dreuw, G. S. Duesberg, A. Pucci, J. Zaumseil
J. Phys. Chem. C 2020, 124 (9), 5331-5344.
# DOI: 10.1021/acs.jpcc.9b11056 #
# https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b11056 #

109.

Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes
Beatrix M. Bold, Monja Sokolov, Sayan Maity, Marius Wanko, Philipp M. Dohmen, Julian J. Kranz, Ulrich Kleinekathöfer, Sebastian Höfener and Marcus Elstner
# DOI: 10.1039/c9cp05753f #

110.

Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Bandlike Charge Transport in Organic Semiconductors
Weiwei Xie, Daniel Holub, Tomas Kubar, Marcus Elstner
J. Chem. Theory Comput. 2020, 16 (4), 2071.
# https://doi.org/10.1021/acs.jctc.9b01271 #

111.

Self-Organized Nanorod Arrays for Large-Area Surface Enhanced Infrared Absorption
Maria Caterina Giordano, Michael Tzschoppe, Matteo Barelli, Jochen Vogt, Christian Huck, Filippo Canepa, Annemarie Pucci, Francesco Buatier de Mongeot
ACS Appl. Mater. Interfaces 2020, 12 (9), 11155-11162.

112.

Lightening up a Dark State of a Pentacene Derivative via N-Introduction
Mohsen Ajdari, Arnulf Stein, Marvin Hoffmann, Matthias Müller, Uwe H. F. Bunz, Andreas Dreuw and Petra Tegeder
J. Phys. Chem. C 2020, 124, 7196-7204.
# doi.org/10.1021/acs.jpcc.9b11405 #

113.

Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation
A. L. Dempwolff, A. C. Paul, A. M. Belogolova, A. B. Trofimov and A. Dreuw
J. Chem. Phys. 2020, 152, 024113.

114.

Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking
A. L. Dempwolff, A. C. Paul, A. M. Belogolova, A. B. Trofimov and A. Dreuw
J. Chem. Phys. 2020, 152, 024125.

115.

Stable Radical Cations of N,N´-Diarylated Dihydrodiazapentacenes
G. Xie, V. Brosius, J. Han, F. Rominger, A. Dreuw, J. Freudenberg and U. H. F. Bunz
Chem. Eur. J.  2020, 26, 160.

116.

Dipolar hole-blocking layers for inverted perovskite solar cells: Effects of aggregation and electron transport levels
J. Butscher, Q. Sun, Y. Wu, F. Stuck, M. Hoffmann, A. Dreuw, F. Paulus, A. S. K. Hashmi, N. Tessler and Y. Vaynzof
J. Phys. Mater. 2020, 3, 025002.

117.

Quinoidal Azaacenes: 99% Diradical Character
S. N. Intorp, M. Hodecker, M. Müller, O. Tverskoy, M. Rosenkranz, E. Dmitrieva, A. A. Popov, F. Rominger, J. Freudenberg, A. Dreuw and U. H. F. Bunz
Angew. Chem. Int. Ed. 2020, 59, 12396-12401.

118.

Analytical nuclear gradients for electron-attached and electron-detached states for the second-order algebraic diagrammatic construction scheme combined with frozen-density embedding
J. Liu, C. Hättig, S. Höfener
J. Chem. Phys. 2020, 152, 174109.
# DOI: https://doi.org/10.1063/5.0002851 #

119.

Peralkynylated Tetraazaacene-Derivatives
H. Reiss, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 202026 (5), 1013-1016.

120.

5,7,12,14-Tetrafunctionalized 6,13-Diazapentacenes
G. Xie, M. Hauschild, H. Hoffmann, L. Ahrens, F. Rominger, M. Borkowski, T. Marszalek, J. Freudenberg, M. Kivala, U. H. F. Bunz
Chem. Eur. J. 202026 (4), 799-803.

121.

Triptycene End-Capped Benzothienobenzo-thiophene and Naphtothienobenzothiophene
Lucas Ueberricke, Julia Schwarz, Farhad Ghalami, Maik Matthiesen, Frank Rominger, Sven M. Elbert, Jana Zaumseil, Marcus Elstner, Michael Mastalerz
Chem. Eur. J. 2020, accepted.

122.

2,7,11,16-Tetra-tert-Butyl Tetraindenopyrene Revisited by an "Inverse" Synthetic Approach
Sven M. Elbert, Anika Haidisch, Tobias Kirschbaum, Frank Rominger, Ute Zschieschang, Hagen Klauk, Michael Mastalerz
Chem. Eur. J. 2020, accepted.

123.

Host-Guest Chemistry of Truncated Tetrahedral Imine Cages with Ammonium Ions
Jochen C. Lauer, Ziwei Pang, Paul Janßen, Frank Rominger, Tobias Kirschbaum, Marcus Elstner, Michael Mastalerz
ChemistryOpen 2020, 9, 183-190.

124.

Synthesis of Fulvene Vinyl Ethers by Gold Catalysis
A. Ahrens, J. Schwarz, D. M. Lustosa, R. Porkaveh, M. Hoffmann, F. Rominger, M. Rudolph, A. Dreuw and A. S. K. Hashmi
Chem. Eur. J. 202026, 5280.

125.

Twisting and Bending Photo-Excited Phenylethynylbenzenes - A Theoretical Analysis
M. Hodecker, A. M. Driscoll, U. H. F. Bunz and A. Dreuw
Phys. Chem. Chem. Phys. 202022, 9974.

126.

Electronic Properties of 6,13-Diazapentacene Adsorbed on Au(111): A Quantitative Determination of Transport, Singlet and Triplet States and Electronic Spectra
Mohsen Ajdari, Tanja Schmitt, Marvin Hoffmann, Friedrich Maaß, Hilmar Reiss, Uwe H. F. Bunz, Andreas Dreuw and Petra Tegeder
J. Phys. Chem. C 2020, 124, 13196-13205.
# DOI: 10.1021/acs.jpcc.0c02672 #

127.

Di- and Tetracyano Substituted Pyrene-Fused Pyrazaacenes - Aggregation in the Solid State
Lucas Ueberricke, Ioana Ciubotaru, Farhad Ghalami, Felix Mildner, Frank Rominger, Marcus Elstner, Michael Mastalerz
Chem. Eur. J. 2020, accepted.

128.

Flexible pulse shaping for sum frequency microspectroscopies
N. Müller, T. Buckup, M. Motzkus
JOSA B 2020, 37, 117-126.

129.

Charge and Exciton Transfer Simulations Using Machine-Learned Hamiltonians
Mila Krämer, Philipp M. Dohmen, Weiwei Xie, Daniel Holub, Anders S. Christensen and Marcus Elstner
J. Chem. Theory Comput. June 3, 2020
# https://doi.org/10.1021/acs.jctc.0c00246 #

130.

The Impact of Aggregation on the Photophysics of Spiro-bridged Heterotriangulenes
Milan Kivala, Marcel Krug, Maximilian Wagner, Tobias A. Schaub, Wen-Shan Zhang, Christoph M. Schüßlbauer, Johannes D. R. Ascherl, Peter W. Münich, Rasmus R. Schröder, Franziska Gröhn, Pavlo O. Dral, Mario Barbatti, Dirk M. Guldi
Angew. Chem. Int. Ed. 2020, accepted.
# https://doi.org/10.1002/anie.202003504 #

131.

Interface properties and dopability of an organic semiconductor: TAPP-Br variable as molecule but inert in the condensed phase
M. Tzschoppe, C. Huck, A. Butkevich, B. Günther, C. Ulrich, J. N. Rose, L. H. Gade, A. Pucci
Journal of Materials Chemistry C 2020, 8, 9898-9908.
# DOI: 10.1039/D0TC01555E #

132.

5,7,12,14-Tetraphenyl-Substituted 6,13-Diazapentacenes as Versatile Organic Semiconductors: Characterization in Field Effect Transistors
M. Hauschild, M. Borkowski, P. Dral, T. Marszalek, F. Hampel, G. Xie, J. Freudenberg, U. H. F. Bunz, M. Kivala
Organic Materials 2020, 2, 204-213.

133.

An Isosteric Triaza Analogue of a Polycyclic Aromatic Hydrocarbon Monkey Saddle
Tobias Kirschbaum, Frank Rominger, Michael Mastalerz
Chem. Eur. J. 2020, accepted.

134.

A Robust Porous Quinoline Cage by Transformation of a [4+6]-Salicylimine Cage via Povarov-Cyclization
Pierre-Emmanuel Alexandre, Wen-Shan Zhang, Frank Rominger, Sven M. Elbert, Rasmus R. Schröder, Michael Mastalerz
Angew. Chem. Int. Ed. 2020, accepted.

135.

Hetero Diels-Alder Reactions with a Dicationic Urea Azine Derivated Azo Dienophile and Their Use for the Synthesis of an Electron-Rich Pentacene
M. Werr, E. Kaifer, H.-J. Himmel
Chem. Eur. J. 2020, 26, 12328-12332.

136.

A Triptycene-based Enantiopure Bis(Diazadibenzoanthracene) by a Chirality Assisted Synthesis Approach
Xubin Wang, Bernd Kohl, Frank Rominger, Sven M. Elbert, Michael Mastalerz
Chem. Eur. J. 2020, accepted.

137.

High-Resolution Electronic Excitation and Emission Spectra of Pentacene and 6,13-Diazapentacene Monomers and Weakly Bound Dimers by Matrix-Isolation Spectroscopy
Jean Thusek, Marvin Hoffmann, Olaf Hübner, Stefan Germer, Hendrik Hoffmann, Jan Freudenberg, Uwe H. F. Bunz, Andreas Dreuw and Hans-Jörg Himmel
Chem. Eur. J. 2020, im Druck.
# DOI: chem.202003999 #

138.

Synthesis and Optoelectronic Properties of a Quinoxalino-phenanthrophenazine (QPP) Extended Tribenzotriquinacene (TBTQ)
Lucas Ueberricke, Bahiru Punja Benke, Tobias Kirschbaum, Sebastian Hahn, Frank Rominger, Uwe H. F. Bunz and Michael Mastalerz
Chem. Eur. J. 2020, accepted.
# https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202003666 #

139.

Present and Future of Surface-Enhanced Raman Scattering
Judith Langer, Christian Huck, Annemarie Pucci, Luis M. Liz-Marzan et al.
ACS Nano 2020, 14 (1), 28-117.

140.

Ultrafast Singlet-Fission and Intersystem Crossing in Halogenated Tetraazaperopyrenes
N. Wollscheid, B. Günther, V. J. Rao, F. J. Berger, J. L. Pérez Lustres, M. Motzkus, J. Zaumseil, L. H. Gade, S. Höfener, T. Buckup
J. Phys. Chem. A 2020, 124 (39), 7857-7868.

141.

Azaacene Dimers - Novel Acceptor Materials with a ´Twist´
L. Ahrens, J. Butscher, V. Brosius, F. Rominger, J. Freudenberg, Y. Vaynzof, U. H. F. Bunz
Chem. Eur. J. 202026, 412-418.

142.

Azaacenodibenzosuberones
V. Brosius, M. Müller, J. Borstelmann, F. Rominger, J. Freudenberg, U. H. F. Bunz
J. Org. Chem. 2020, 85, 296-300.

143.

Enhancing the Open-Circuit Voltage of Perovskite Solar Cells by Embedding Molecular Dipoles within their Hole-Blocking Layer
J. F. Butscher, S. Intorp, J. Kress, Q. An, Y. J. Hofstetter, N. Hippchen, F. Paulus, U. H. F. Bunz, N. Tessler, Y. Vaynzof
ACS Appl. Mater. Interfaces 2020, 12, 3572-3579.

144.

Tetrabenzononacene: "Butterfly Wings" Stabilize the Core
M. Müller, S. Maier, O. Tverskoy, F. Rominger, J. Freudenberg, U. H. F. Bunz
Angew. Chem. Int. Ed. 2020, 59, 1966-1969.

145.

Functionalized Tetrapodal Diazatriptycenes for Electrostatic Dipole Engineering in n-Type Organic Thin Film Transistors
V. Rohnacher, S. Benneckendorf, M. Münch, E. Sauter, A. Asyuda, M.-M. Barf, J.-N. Tisserant, S. Hillebrandt, F. Rominger, D. Jänsch, J. Freudenberg, W. Kowalsky, W. Jaegermann, U. H. F. Bunz, A. Pucci, M. Zharnikov, K. Müllen
Adv. Mater. Technol. 2020, accepted.

146.

Ultrafast Singlet-Fission in Rigid Azaarene Dimers with Negligible Orbital Overlap
N. Alagna, J. Perez Lustres, A. Roozbeh, J. Han, S. Hahn, F. Berger, J. Zaumseil, A. Dreuw, U. H. F. Bunz, T. Buckup
J. Phys. Chem. B 2020, 124, 9163-9174.

147.

Evaluation of Single-reference DFT-based Approaches for the Calculation of Spectroscopic Signatures of Excited States Involved in Singlet Fission
J. Han, D. R. Rehn, T. Buckup and A. Dreuw
J. Phys. Chem. A 2020, accepted.

148.

Homoconjugation and Intramolecular Charge-Transfer in Extended Aromatic Triptycenes with Different π-Planes
Kevin Baumgärtner, Marvin Hoffmann, Frank Rominger, Sven M. Elbert, Andreas Dreuw and Michael Mastalerz
J. Org. Chem. 2020, accepted.

149.

Triptycene End-Capped Indigo Derivatives - Turning Insoluble Pigments to Soluble Dyes
Bahiru P. Benke, Leif Hertwig, Xuan Yang, Frank Rominger and Michael Mastalerz
Eur. J. Org. Chem. 2020, accepted.

150.

Charge and Thermoelectric Transport in Polymer-Sorted Semiconducting Single-Walled Carbon Nanotube Networks
M. Statz, S. Schneider, F. J. Berger, L. Lai, W. A. Wood, M. Abdi-Jalebi, S. Leingang, H.-J. Himmel, J. Zaumseil and H. Sirringhaus
ACS Nano 2020, im Druck.

151.

Diffusion-Controlled Singlet Fission in a Chlorinated Phenazinothiadiazole by Broadband Femtosecond Transient Absorption
N. Wollscheid, J. Lustres, V. Brosius, M. Motzkus, U. H. F. Bunz, T. Buckup
J. Phys. Chem. B 2020, 124, 10186-10194.

152.

Stable N,N´-Diarylated Dihydrodiazaacene Radical Cations
G. Xie, M. Bojanowski, V. Brosius, T. Wiesner, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 2020, accepted.

153.

(Aza)Pentacenes Clipped into a Ring: Stabilization of Large (Aza)Acenes
L. Ahrens, O. Tverskoy, S. Weigold, M. Ganschow, F. Rominger, J. Freudenberg, U. H. F. Bunz
Angew. Chem. Int. Ed. 2020, accepted.

154.

Diazapentacenes from Quinacridones
T. Wiesner, L. Ahrens, F. Rominger, J. Freudenberg, U. H. F. Bunz
Chem. Eur. J. 2020, accepted.

155.

Homogeneous and Heterogeneous Gold Catalysis for Materials Science
Christoph M. Hendrich, Kohei Sekine, Takumi Koshikawa, Ken Tanaka, A. Stephen K. Hashmi
Chem. Rev. 2020
# https://dx.doi.org/10.1021/acs.chemrev.0c00824 #

156.

Compensation of Oxygen Doping in p-Type Organic Field-Effect Transistors Utilizing Immobilized n-Dopants
Marc-Michael Barf, Frank S. Benneckendorf, Patrick Reiser, Rainer Bäuerle, Wolfgang Köntges, Lars Müller, Martin Pfannmöller, Sebastian Beck, Eric Mankel, Jan Freudenberg, Daniel Jänsch, Jean-Nicolas Tisserant, Robert Lovrincic, Rasmus R. Schröder, Uwe H. F. Bunz, Annemarie Pucci, Wolfram Jaegermann, Wolfgang Kowalsky, Klaus Müllen
Advanced Materials Technologies 2020
# DOI: 10.1002/admt.202000556 #

157.

Phenanthroline Additives for Enhanced Semiconducting Carbon Nanotube Dispersion Stability and Transistor Performance
S. Schneider, J. Lefebvre, N. J. Diercks, F. J. Berger, F. Lapointe, J. Schleicher, P. R. L. Malenfant, J. Zaumseil
ACS Applied Nano Materials 2020, 3, 12314-12324.
# https://pubs.acs.org/doi/abs/10.1021/acsanm.0c02813 #

 

2021

158.

Gold-Catalyzed Synthesis of π-Extended Carbazole-Based Systems and their Application as Organic Semiconductors
Christoph M. Hendrich, Valentin D. Hannibal, Lukas Eberle, Leif E. Hertwig, Ute Zschieschang, Frank Rominger, Matthias Rudolph, Hagen Klauk, A. Stephen K. Hashmi
Adv. Synth. Catal. 2021, 363.
# DOI: 10.1002/adsc.202001461 #

159.

Gold Catalysis Meets Materials Science - A New Approach to π-Extended Indolocarbazoles
Christoph M. Hendrich, Lukas M. Bongartz, Marvin T. Hoffmann, Ute Zschieschang, James W. Borchert, Désirée Sauter, Petra Krämer, Frank Rominger, Florian F. Mulks, Matthias Rudolph, Andreas Dreuw, Hagen Klauk, A. Stephen K. Hashmi
Adv. Synth. Catal. 2021, 363, 549-557.

160.

Band Formation at Interfaces Between N-Heteropolycycles and Gold Electrodes
Arnulf Stein, Daniela Rolf, Christian Lotze, Benjamin Günther, Lutz H. Gade, Katharina J. Franke and Petra Tegeder
J. Phys. Chem. Lett. 2021, 12, 947-951.

161.

Stability of organic thin-film transistors based on ultrathin films of dinaphtho(2,3-b:2´,3´-f)thieno(3,2-b)thiophene (DNTT)
R. Acharya, D. Günder, T. Breuer, G. Schmitz, H. Klauk, G. Witte
J. Mater. Chem. C 2021, 9, 270.

162.

Beyond p-Hexaphenylenes: Synthesis of Unsubstituted p-Nonaphenylene by a Precursor Protocol
Ali Abdulkarim, Marvin Nathusius, Rainer Bäuerle, Karl-Philipp Strunk, Sebastian Beck, Hans Joachim Räder, Annemarie Pucci, Christian Melzer, Daniel Jänsch, Jan Freudenberg, Uwe H. F. Bunz, Klaus Müllen
Chem. Eur. J. 2021, 27 (1), 281-288.

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