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Complete list of publications

Publications of the year 2019
  • C. Schörner, S. Adhikari, M. Lippitz
    A single-crystalline silver plasmonic circuit for visible quantum emitters
    Nano Lett., 19(5), 3238-3243 (2019)
    DOI: 10.1021/acs.nanolett.9b00773
  • Ingo Schelter Johannes M. Foerster Alastir T. Gardiner Aleksander W.Rozak Richard J. Cogdell C. Matthias Ullmann Thiago Branquinho Stephan Kümmel
    Assessing density functional theory in real-time and real-space as a tool for studying bacteriochlorophylls and the light-harvesting complex 2
    J. Chem. Phys., 151, 134114 (2019)
  • P. Schmode, D. Ohayon, P. M. Reichstein, A. Savva, S. Inal, M. Thelakkat
    High-performance organic electrochemical transistors based on conjugated polyelectrolyte copolymers
    Chem. Mater., 31(14), 5286-5295 (2019)
    DOI: 10.1021/acs.chemmater.9b01722
  • S. Seibt, P. Mulvaney, S. Förster
    Millisecond CdS nanocrystal nucleation and growth studied by microfluidics with in situ spectroscopy
    Colloids and Surfaces A: Physicochemical and Engineering Aspects, 562, 263-269 (2019)
    DOI: 10.1016/j.colsurfa.2018.10.043
  • A. Löhner, T. Kunsel, M. I. S. Röhr, T. L. C. Jansen, S. Sengupta, F. Würthner, J. Knoester, J. Köhler
    Spectral and structural variations of biomimetic light-harvesting nanotubes
    J. Phys. Chem. Lett., 10, 2715-2724 (2019)
    DOI: 10.1021/acs.jpclett.9b00303
  • J. Köhler, R. J. Cogdell
    Studying conformational changes of proteins via single-molecule spectroscopy: Cryogenic temperatures versus room temperaturesing density functional theory, in Advances in Botanical Research Elsevier Ltd , 1-31 (2019)
    DOI: 10.1016/bs.abr.2018.12.002
  • C. Schörner, C. Neuber, R. Hildner
    Two-path self-interference in PTCDA active waveguides maps the dispersion and refraction of a single waveguide mode
    APL Photonics, 4, 016104 (2019)
    DOI: 10.1063/1.5068761
  • K. Wilma, C.-C. Shu, U. Scherf, R. Hildner
    Two-photon induced ultrafast coherence decay of highly excited states in single molecules
    New J. Phys., 21, 045001 (2019)
    DOI: 10.1088/1367-2630/ab115d
Publications of the year 2018
  • I. Schelter, S. Kümmel
    Accurate evaluation of real-time density functional theory: Providing access to challenging electron dynamics
    J. Chem. Theory Comput., 14, 1910-1927 (2018)
    DOI: 10.1021/acs.jctc.7b01013
  • A. Löhner, R. Cogdell, J. Köhler
    Contribution of low-temperature single-molecule techniques to structural issues of pigment-protein complexes from photosynthetic purple bacteria
    J. R. Soc. Interface, 15(138), 20170680 (2018)
    DOI: 10.1098/rsif.2017.0680
  • M. Reichenberger, D. Kroh, G. M. M. Matrone, K. Schötz, S. Pröller, O. Filonik, M. E. Thordardottir, E. M. Herzig, H. Bässler, N. Stingelin, A. Köhler
    Controlling aggregate formation in conjugated polymers by spin-coating below the critical temperature of the disorder-order transition
    J. Polym. Sci. B: Polymer Phys., 56, 532-542 (2018)
    DOI: 10.1002/polb.24562
  • L. Kronik, S. Kümmel
    Dielectric screening meets optimally tuned density functionals
    Adv. Mater., 30, 1706560 (2018)
    DOI: 10.1002/adma.201706560
  • J. Lebert, E. M. Kratzer, A. Bourdick, M. Coric, S. Gekle, E. M. Herzig
    Directing the aggregation of native polythiophene during in situ polymerization
    ACS Omega, 3, 6388-6394 (2018)
    DOI: 10.1021/acsomega.8b00684
  • D. Raithel, L. Simine, S. Pickel, K. Schötz, F. Panzer, S. Baderschneider, D. Schiefer, R. Lohwasser, J. Köhler, M. Thelakkat, M. Sommer, A. Köhler, P. J. Rossky, R. Hildner
    Direct observation of backbone planarization via side-chain alignment in single bulky-substituted polythiophenes
    PNAS, 115(11), 2699-2704 (2018)
    DOI: 10.1073/pnas.1719303115
  • F.-J. Kahle, C. Saller, S. Olthof, C. Li, J. Lebert, S. Weiß, E. M. Herzig, S. Hüttner, K. Meerholz, P. Strohriegl, A. Köhler
    Does electron delocalization influence charge separation at donor-acceptor interfaces in organic photovoltaic cells
    J. Phys. Chem. C, 122, 21792-21802 (2018)
    DOI: 10.1021/acs.jpcc.8b06429
  • A. Bourdick, M. Reichenberger, A. Stradomska, G. C. Bazan, T.-Q. Nguyen, A. Köhler, S. Gekle
    Elucidating aggregation pathways in the donor-acceptor type molecules p-DTS(FBTTh2)2 and p-SIDT(FBTTh2)2
    J. Phys. Chem. B, 122, 9191-9201 (2018)
    DOI: 10.1021/acs.jpcb.8b06283
  • C. Saller, F.-J. Kahle, T. Müller, T. Hahn, S. Tscheuschner, D. Priadko, P. Strohriegl, H. Bässler, A. Köhler
    Facile method for the Investigation of Temperature-Dependent C60 Diffusion in Conjugated Polymers
    ACS Appl. Mater. Interfaces, 10(25), 21499-21509 (2018)
    DOI: 10.1021/acsami.8b05520
  • F.-J. Kahle, A. Rudnick, H. Bässler, A. Köhler
    How to interpret absorption and fluorescence spectra of charge transfer states in an organic solar cell
    Mater. Horiz., 5, 837-848 (2018)
    DOI: 10.1039/C8MH00564H
  • S. Seibt, S. With, A. Bernet, H.-W. Schmidt, S. Förster
    Hydrogelation kinetics measured in a microfluidic device with in situ X‑ray and fluorescence detection
    Langmuir, 34, 5535-5544 (2018)
    DOI: 10.1021/acs.langmuir.8b00384
  • T. Meier, T. P. Gujar, A. Schönleber, S. Olthof, K. Meerholz, S. van Smaalen, F. Panzer, M. Thelakkat, A. Köhler
    Impact of excess PbI2 on the structure and the temperature dependent optical properties of methylammonium lead iodide perovskites
    J. Mater. Chem. C, 6, 7512-7519 (2018)
    DOI: 10.1039/C8TC02237B
  • J. M. Foerster, I. Poehner, G. M. Ullmann
    MCMap—A computational tool for mapping energy landscapes of transient protein–protein interactions
    ACS Omega, 3(6), 6465-6475 (2018)
    DOI: 10.1021/acsomega.8b00572
  • A. V. Naumov, A. A. Gorshelev, M. G. Gladush, T. A. Anikushina, A. V. Golovanova, J. Köhler, L. Kador
    Micro-refractometry and local-field mapping with single molecules
    Nano Lett., 18, 6129-6134 (2018)
    DOI: 10.1021/acs.nanolett.8b01753
  • J. Garhammer, F. Hofmann, R. Armiento, S. Kümmel
    On the challenge to improve the density response with unusual gradient approximations?
    Eur. Phys. J. B, 91:159. (2018)
    DOI: 10.1140/epjb/e2018-90119-4
  • F.-J. Kahle, T. Hahn, T. Mukhopadhyav, B. Puttaraju, S. Patil, A. Köhler
    Organic bidirectional phototransistors based on diketopyrrolopyrrole and fullerene
    Adv. Funct. Mater., 1805684 (2018)
    DOI: 10.1002/adfm.201805684
  • C. Schörner, S. Motamen, L. Simon, G. Reiter, R. Hildner
    Self-Interference of exciton emission in organic single crystals visualized by engergy-momentum spectroscopy
    ACS Omega, 3, 6728-6736 (2018)
    DOI: 10.1021/acsomega.8b00811
  • M. Buchhorn, S. Wedler, F. Panzer
    Setup to study the in situ evolution of both photoluminescence and absorption during the processing of organic or hybrid semiconductors
    J. Phys. Chem. A, 122, 9115-9122 (2018)
    DOI: 10.1021/acs.jpca.8b07495
  • C. Lochenie, K. Schötz, F. Panzer, H. Kurz, B. Maier, F. Puchtler, S. Agarwal, A. Köhler, B. Weber
    Spin-Crossover Iron(II) Coordination Polymer with Fluorescent Properties: Correlation between Emission Properties and Spin State
    J. Am. Chem. Soc., 140, 700-709 (2018)
    DOI: 10.1021/jacs.7b10571
  • M. Marcus, J. D. Milward, A. Köhler, W. Barford
    Structural information for conjugated polymers from optical modeling
    J. Phys. Chem. A, 122, 3621-3625 (2018)
    DOI: 10.1021/acs.jpca.8b01585
  • L. M. Günther, A. Löhner, C. Reiher, T. Kunsel, T. L. C. Jansen, M. Tank, D. A. Bryant, J. Knoester, J. Köhler
    Structural variations in chlorosomes from wild-type and a bchQR mutant of Chlorobaculum tepidum revealed by single-molecule spectroscopy
    J. Phys. Chem B, 122, 6712-6723 (2018)
    DOI: 10.1021/acs.jpcb.8b02875
  • T. P. Gujar, T. Unger, A. Schönleber, M. Fried, F. Panzer, S. van Smaalen, A. Köhler, M. Thelakkat
    The role of PbI2 in CH3NH3PbI3 perovskite stability, solar cell parameters and device degradation
    Phys. Chem. Chem. Phys., 20, 605-614 (2018)
    DOI: 10.1039/C7CP04749E
  • K. Wilma, C.-C. Shu, U. Scherf, R. Hildner
    Visualizing hidden ultrafast processes in individual molecules by single-pulse coherent control
    J. Am. Chem. Soc., 140(45), 15329-15335 (2018)
    DOI: 10.1021/jacs.8b08674
Publications of the year 2017
  • S. Kümmel
    Charge-Transfer Excitations: A Challenge for Time-Dependent Density Functional Theory That Has Been Met
    Adv. Energy Mater., 7, 1700440 (2017)
    DOI: 10.1002/aenm.201700440
  • E. Zeglio, M.M. Schmidt, M. Thelakkat, R.Gabrielsson, N. Solin, O. Inganäs
    Conjugated Polyelectrolyte Blends for Highly Stable Accumulation Mode Electrochemical Transistors
    Chem. Mater., 29, 4293-4300 (2017)
    DOI: 10.1021/acs.chemmater.7b00474
  • E. Bombarda, G. M. Ullmann
    Continuum electrostatic calculation on bovine rhodopsin: Protonation and the effect of the membrane potential
    Photochemistry and photobiology, 93(6), 1388-1398 (2017)
    DOI: 10.1111/php.12777
  • F.-J. Kahle, C. Saller, A. Köhler, P. Strohriegl
    Crosslinked semiconductor polymers for photovoltaic applications
    Adv. Energy Mater., 7, 1700306 (2017)
    DOI: 10.1002/aenm.201700306
  • S. Athanasopoulos, S. Tscheuschner, H. Bässler, A. Köhler
    Efficient charge separation in organic photovoltaics through incoherent hopping
    J. Phys. Chem. Lett., 8, 2093-2098 (2017)
    DOI: 10.1021/acs.jpclett.7b00595
  • K. Wilma, T. Unger, S. Tuncel-Kostakoglu, M. Hollfelder, C. Hunger, A. Lang, A. G. Gürek, M. Thelakkat, J. Köhler, A. Köhler, S. Gekle, R. Hildner
    Excited state dynamics and conformations of a Cu(II)-phthalocyanine-perylenebisimide dyad
    Phys. Chem. Chem. Phys., 19, 22169-22176 (2017)
    DOI: 10.1039/C7CP04026A
  • T. Mukhopadhyay, B. Puttaraju, P. Roy, J. Dasgupta, A. Meyer, A. Rudnick, S. Tscheuschner, F.-J. Kahle, A. Köhler, S. Patil
    Facile synthesis and chain-length dependence of the optical and structural properties of Diketopyrrolopyrrole-Based Oligomers
    Chem. Eur. J., 23, 13718-13723 (2017)
    DOI: 10.1002/chem.201702131
  • F. Panzer, C. Li, T. Meier, A. Köhler, S. Hüttner
    Impact of structural dynamics on the optical properties of methylammonium lead iodide perovskites
    Adv. Energy Mater., 7, 1700286 (2017)
    DOI: 10.1002/aenm.201700286
  • F.-J. Kahle, I. Bauer, P. Strohriegl, A. Köhler
    Influence of crosslinking on charge carrier mobility in crosslinkable polyfluorene derivatives
    Journal of Polymer Science, Part B, Polymer Physics, 55, 112-120 (2017)
    DOI: 10.1002/polb.24259
  • A. Rudnick, K. - J. Kass, E. Preis, U. Scherf, H. Bässler, A. Köhler
    Interplay of localized pyrene chromophores and p-conjugation in novel poly(2,7-pyrene) ladder polymers
    J. Chem. Phys., 146, 174903 (2017)
    DOI: 10.1063/1.4982046
  • S. Motamen, C. Schörner, D. Raithel, J.-P. Malval, T. Jarrosson, F. Serein-Spirau, L. Simon, R. Hildner, G. Reiter
    Low loss optical waveguiding in large single chrystals of a thiophene-based oligomer
    Phys. Chem. Chem. Phys., 19, 15980-15987 (2017)
    DOI: 10.1039/c7cp01639e
  • T. Hahn, S. Tscheuschner, J.-F. Kahle, M. Reichenberger, S. Athanasopoulos, C. Saller, G. C. Bazan, T.-Q. Nguyen, P. Strohriegl, H. Bässler, A. Köhler
    Monomolecular and bimolecular recombination of electron-hole pairs at the interface of a bilayer organic solar cell
    Adv. Funct. Mater., 27 (2017)
    DOI: 10.1002/adfm.201604906
  • C. Schörner, D. Wolf, T. Schumacher, P. Bauer, M. Thelakkat, M. Lippitz
    Nondestructive Probing of a Photoswitchable Dithienylethene Coupled to Plasmonic Nanostructures
    J. Phys. Chem. C, 121(30), 16528-16532 (2017)
    DOI: 10.1021/acs.jpcc.7b05558
  • C. Li, A. Guerreo, Y. Zhong, A. Gräser, C. A. M. Luna, J. Köhler, J. Bisquert, R. Hildner, S. Hüttner
    Real-Time observation of iodide ion migration in methylammonium lead halide perovskitesrphology in Solution, Bulk and Photovoltaic Blends
    Small, 13, 1701711 (2017)
    DOI: 10.1002/smll.201701711
  • F. M. Keheze, D. Raithel, T. Wu, D. Schiefer, M. Sommer, R. Hildner, G. Reiter
    Signatures of Melting and Recrystallization of a Bulky Substituted Poly(thiophene) Identified by Optical Spectroscopy
    Macromolecules, 50, 6829-6839 (2017)
    DOI: 10.1021/acs.macromol.7b01080
  • M. M. Schmidt, M. ElMahmoudy, G. G. Malliaras, S. Inal, M. Thelakkat
    Smaller counter cation for higher transconductance in anionic conjugated polyelectrolytes
    Macromol. Chem. Phys., 219, 1700374 (2017)
    DOI: 10.1002/macp.201700374
  • A. Rudnick, C. Wetzel, S. Tscheuschner, H. Schmalz, A. Vogt, A. Greiner, H. Bässler, E. Mena-Osteritz, P. Bäuerle, A. Köhler
    Spectroscopic study of Thiophene-Pyrrole-Containing S, N-Heteroheptacenes compared to Acenes and Phenacenesuted Poly(thiophene) Identified by Optical Spectroscopy
    J. Phys. Chem. B, 121(31), 7492-7501 (2017)
    DOI: 10.1021/acs.jpcb.7b02935
  • T. Unger, S. Wedler, F.-J. Kahle, U. Scherf, H. Bässler, A. Köhler
    The Impact of Driving Force and Temperature on the Electron Transfer in Donor-Acceptor Blend Systems
    J. Phys. Chem. C, 121(41), 22739-22752 (2017)
    DOI: 10.1021/acs.jpcc.7b09213
  • C. Wetzel, A. Vogt, A. Rudnick, E. Mena-Osteritz, A. Köhler, P. Bäuerle
    Thiophene–pyrrole containing S,N-heteroheptacenes: synthesis, and optical and electrochemical characterisation
    Org. Chem. Front., 4, 1629-1635 (2017)
    DOI: 10.1039/C7QO00294G
  • R. Hildner, A. Köhler, P. Müller-Buschbaum, F. Panzer, M.Thelakkat
    π-Conjugated Donor Polymers: Structure Formation and Morphology in Solution, Bulk and Photovoltaic Blends
    Adv. Energy Mater., 7, 1700314 (2017)
    DOI: 10.1002/aenm.201700314
Publications of the year 2016
  • F. Caruso, M. Dauth, M. J. van Setten, P. Rinke
    Benchmark of GW approaches for the GW100 test set
    J. Chem. Theory Comput., 12, 5076-5087 (2016)
    DOI: 10.1021/acs.jctc.6b00774
  • F. Panzer, D. Hanft, T. P. Gujar, F.-J. Kahle, M. Thelakkat , A. Köhler, R. Moos
    Compact Layers of Hybrid Halide Perovskites Fabricated via the Aerosol Deposition Process—Uncoupling Material Synthesis and Layer Formation
    Materials, 9, 9040277 (2016)
    DOI: 10.3390/ma9040277
  • E. Zeglio, M.M. Schmidt, M. Thelakkat, R.Gabrielsson, N. Solin, O. Inganäs
    Conjugated Polyelectrolyte Blend as Photonic Probe of Biomembrane Organization
    Chemistry Select, 1, 4340-4344 (2016)
    DOI: 10.1002/slct.201600920
  • P. Strohriegl, C. Saller, P. Knauer, A. Köhler, T. Hahn, F. Fischer, F.-J. Kahle
    Crosslinkable low bandgap polymers for organic solar cells
    Proc. SPIE, 9942 (2016)
    DOI: 10.1117/12.2239400
  • S. Singh, C. Li, F. Panzer, K. L. Narasimhan, A. Gräser, T. P. Gujar, A. Köhler, M. Thelakkat, S. Hüttner, D. Kabra
    Effect of Thermal and Structural Disorder on the Electronic Structure of Hybrid Perovskite Semiconductor CH3NH3PbI3
    J. Phys. Chem. Lett., 7, 3014-3021 (2016)
    DOI: 10.1021/acs.jpclett.6b01207
  • M. Graus, M. Grimm, C. Metzger, M. Dauth, C. Tusche, J. Kirschner, S. Kümmel, A. Schöll, F. Reinert
    Electron-Vibration Coupling in Molecular Materials: Assignment of Vibronic Modes from Photoelectron Momentum Mapping
    Phys. Rev. Lett., 116, 147601-1-147601-5 (2016)
    DOI: 10.1103/PhysRevLett.116.147601
  • C. Li, Y. Zhong, C. A. M. Luna, T. Unger, K. Deichsel, A. Gräser, J. Köhler, A. Köhler, R. Hildner, S. Huettner
    Emission enhancement and intermittency in polycrystalline organolead halide perovskite films
    Molecules, 21, 1081-1092 (2016)
    DOI: 10.3390/molecules21081081
  • D. Raithel, S. Baderschneider, T. B. de Queiroz, R. Lohwasser, J. Köhler, M. Thelakkat, S. Kümmel, R. Hildner
    Emitting Species of Poly(3-hexylthiophene): From single, isolated chains to bulk
    Macromolecules, 49, 9553-9560 (2016)
    DOI: 10.1021/acs.macromol.6b02077
  • A. Löhner, K. Ashraf, R. J. Cogdell, Jürgen Köhler
    Fluorescence-excitation and emission spectroscopy on single FMO complexes
    Scientific reports, 6, 31875 (2016)
    DOI: 10.1038/srep31875
  • S. Baderschneider, U. Scherf, J. Köhler, R. Hildner
    Influence of the Conjugation Length on the Optical Spectra of Single Ladder-Type (p‑Phenylene) Dimers and Polymers
    J. Phy. Chem. A, 120, 233-240 (2016)
    DOI: 10.1021/acs.jpca.5b10879
  • P. Knauer, T. Hahn, A. Köhler, P. Strohriegl
    Initiator-free crosslinking of oxetane functionalized low bandgap polymers: an approach towards stabilized bulk heterojunction solar cells
    J. Mater. Chem. C, 4, 10347-10357 (2016)
    DOI: 10.1039/c6tc03214a
  • M. Dauth, M. Graus, I. Schelter, M. Wießner, A. Schöll, F. Reinert, S. Kümmel
    Perpendicular Emission, Dichroism, and Energy Dependence in Angle-Resolved Photoemission: The Importance of The Final State
    Phys. Rev. Lett., 117, 183001-1-183001-6 (2016)
    DOI: 10.1103/PhysRevLett.117.183001
  • M. Dauth, F. Caruso, S. Kümmel, P. Rinke
    Piecewise linearity in the GW approximation for accurate quasiparticle energy predictions
    Phys. Rev. B., 93, 121115-1-121115-5 (2016)
    DOI: 10.1103/PhysRevB.93.121115
  • C. D. Heinrich, M. Thelakkat
    Poly-(3-hexylthiophene) bottlebrush copolymers with tailored side-chain lengths and high charge carrier mobilities
    J. Mater Chem. C, 4, 5370-5378 (2016)
    DOI: 10.1039/c6tc01029f
  • M. Dauth, S. Kümmel
    Predicting photoemission intensities and angular distributions with real-time density-functional theory
    Phys. Rev. A., 93, 022502-1-022502-10 (2016)
    DOI: 10.1103/PhysRevA.93.022502
  • S. Motamen, D. Raithel, R. Hildner, R. Khosrow, T. Jarrosson, F. Serein-Spirau, L. Simon, G. Reiter
    Revealing Order and Disorder in Films and Single Crystals of a Thiophene-Based Oligomer by Optical Spectroscopy
    ACS Photonics, 3, 2315-2323 (2016)
    DOI: 10.1021/acsphotonics.6b00473
  • F. Panzer, S. Baderschneider, T. P. Gujar, T. Unger, S. Bagnich, M. Jakoby, H. Bässler, S. Hüttner, J. Köhler, R. Moos, M. Thelakkat, R. Hildner, A. Köhler
    Reversible Laser Induced Amplified Spontaneous Emission from Coexisting Tetragonal and Orthorhombic Phases in Hybrid Lead Halide Perovskites
    Adv. Optical Mater., 4, 917-928 (2016)
    DOI: 10.1002/adom.201500765
  • T. Hahn, S. Tscheuschner, C. Saller, P. Strohriegl, P. Boregowda, T. Mukhopadhyay, S. Patil, D. Neher, H. Bässler, A. Köhler
    Role of intrinsic photogeneration in single layer and bilayer solar cells with C60 and PBCM
    J. Phy. Chem. C, 120, 25083-25091 (2016)
    DOI: 10.1021/acs.jpcc.6b08471
  • P. Schaffhauser, S. Kümmel
    Simulating atomic force microscope images with density functional theory: The role of nonclassical contributions to the force
    Phys. Rev. B., 94, 035426 (2016)
    DOI: 10.1103/PhysRevB.94.035426
  • L. M. Günther, M. Jendrny, E. A. Bloemsma, M. Tank, G. T. Oostergetel, D. A. Bryant, J. Knoester, J. Köhler
    Structure of Light-Harvesting Aggregates in Individual Chlorosomes
    J. Phys. Chem. B, 120, 5367-5376 (2016)
    DOI: 10.1021/acs.jpcb.6b03718
  • Md. M. Rahman, M. Younus, M. Naher, M. K. Masud, A. Nomoto, A. Ogawa, A. Rudnick, A. Köhler
    Synthesis, spectroscopic characterization, thermal and luminescent properties of new organosulfur-functionalized platinum(II) bis(alkenylarylalkynyl) complexes
    Journal of Organometallic Chemistry, 818, 185-194 (2016)
    DOI: 10.1016/j.jorganchem.2016.06.006
  • M. Reichenberger, J. A. Love, A. Rudnick, S. Bagnich, F. Panzer, A. Stradomska, G. C. Bazan, T.-Q. Nguyen, A. Köhler
    The effect of intermolecular interaction on excited states in p − DTS(FBTTH2)2
    J. Chem. Phys., 144, 074904-074904-10 (2016)
    DOI: 10.1063/1.4941700
  • A. A. Rudnick, S. Bagnich, D.Wagner, S. Athanasopoulos, P. Strohriegl, A. Köhler
    The influence of torsion on excimer formation in bipolar host materials for blue phosphorescent OLEDs
    J. Chem. Phys., 144, 214906 (2016)
    DOI: 10.1063/1.4953102
  • F. Panzer, H. Bässler, A. Köhler
    The temperature induced oder-disorder transition in solutions of conjugated polymers probed by optical spectroscopy
    J. Phys. Chem. Lett., 8, 114-125 (2016)
    DOI: 10.1021/acs.jpclett.6b01641
  • K. Wilma, A. Issac, Z. Chen, F. Würthner, R. Hildner, J. Köhler
    Tracing Single Electrons in a Disordered Polymer Film at Room Temperature
    J. Phy. Chem. Lett., 7, 1478-1483 (2016)
    DOI: 10.1021/acs.jpclett.6b00446
  • P. Schaffhauser, S. Kümmel
    Using time-dependent density functional theory in real time for calculating electronic transport
    Phys. Rev. B., 93, 035115-1-035115-13 (2016)
    DOI: 10.1103/PhysRevB.93.035115
  • M. Reichenberger, S. Baderschneider, D. Kroh, S. Grauf, J. Köhler, R. Hildner, A. Köhler
    Watching paint dry: The impact of diiodooctane on the kinetics of aggregate formation in thin films of Poly(3-hexylthiophene)
    Macromolecules, 49, 6420-6430 (2016)
    DOI: 10.1021/acs.macromol.6b01257
Publications of the year 2015
  • S. Tscheuschner, H. Bässler, K. Huber, A. Köhler
    A Combined Theoretical and experimental Study of Dissociation of Charge Transfer States at the Donor-Acceptor Interface of Organic Solar Cells
    J. Phys. Chem. B, 119, 10359-10371 (2015)
    DOI: 10.1021/acs.jpcb.5b05138
  • M. Schörner, S.R. Beyer, J. Southall, R.J. Cogdell, J. Köhler
    Conformational Memory of a Protein Revealed by Single-Molecule Spectroscopy
    J. Phy. Chem. B, 119, 13964-13970 (2015)
    DOI: 10.1021/acs.jpcb.5b07494
  • C. Schaaf, S. Gekle
    Dielectric Response of the Water Hydration Layer around Spherical Solutes
    Phys. Rev. E, 92, 032718-1-032718-9 (2015)
    DOI: 10.1103/PhysRevE.92.032718
  • T. Hahn, J. Geiger, X. Blase, I. Duchemin, D. Niedzialek, S.Tscheuschner, D. Beljonne, H. Bässler, A. Köhler
    Does Excess Energy Assist Photogeneration in an Organic Low-Bandgap Solar Cell?
    Adv. Funct. Mat., 25, 1287-1295 (2015)
    DOI: 10.1002/adfm.201403784
  • M. Hollfelder, S. Gekle
    Dynamic stacking pathway of perylene dimers in aromatic and nonaromatic solvents
    J. Phys. Chem. B, 119(32), 10216-10223 (2015)
    DOI: 10.1021/acs.jpcb.5b03612
  • S. A. Bagnich, S. Athanasopoulos, A. Rudnick, P. Schroegel, I. Bauer, N. C. Greenham, P. Strohriegl, A. Köhler
    Excimer Formation by Steric Twisting in Carbazole and Triphenylamine-Based Host Materials
    J. Phys. Chem. C, 119, 2380-2387 (2015)
    DOI: 10.1021/jp512772j
  • H. Bässler, A. Köhler
    “Hot or cold”: how do charge transfer states at the donor-acceptor interface of an organic solar cell dissociate?es in Poly(3-hexylthiophene)
    Phys. Chem. Chem. Phys., 17, 28451-28462 (2015)
    DOI: 10.1039/c5cp04110d
  • A. T. Haedler, K. Kreger, A. Issac, B. Wittmann, M. Kivala, N. Hammer, J. Köhler, H.-W. Schmidt, R. Hildner
    Long-range energy transport in single supramolecular nanofibres at room temperature
    Nature, 523, 196-199 (2015)
    DOI: 10.1038/nature14570
  • M. Schörner, S.R. Beyer, J. Southall, R.J. Cogdell, J. Köhler
    Multi-level, multi time-scale fluorescence intermittency of photosynthetic LH2 complexes. A precursor of non-photochemical quenching?
    J. Phy. Chem. B, 119, 13958-13963 (2015)
    DOI: 10.1021/acs.jpcb.5b06979
  • T. Hahn, C. Saller, M. Weigl, I. Bauer, T. Unger, A. Köhler, P. Strohriegl
    Organic solar cells with crosslinked polymeric exciton blocking layer
    Phys. Status Solidi A, 212, 2162-2168 (2015)
    DOI: 10.1002/pssa.201532040
  • C. Scharsich, F. S.U. Fischer, K. Wilma, R. Hildner, S. Ludwigs, A. Köhler
    Revealing Sturcture Formation in PCPDTBT by Optical Spectroscopy
    J. Polym. Sci. Phys. B, 53, 1416-1430 (2015)
    DOI: 10.1002/polb.23780
  • D. Wolf, T. Schumacher, M. Lippitz
    Shaping the nonlinear near-field
    Nature Communications, 7, 10361 (2015)
    DOI: 10.1038/ncomms10361
  • F. Panzer, M. Sommer, H. Bässler, M. Thelakkat, Anna Köhler
    Spectroscopic Signature of Two Distinct H‑Aggregate Species in Poly(3-hexylthiophene)
    Macromolecules, 48, 1543-1553 (2015)
    DOI: 10.1021/acs.macromol.5b00129
  • S. R. Beyer, L. Müller, J. Southall, R. J. Cogdell, G. M. Ullmann, J. Köhler
    The Open, the Closed, and the Empty: Time-Resolved Fluorescence Spectroscopy and Computational Analysis of RC-LH1 Complexes from Rhodopseudomonas palustris
    J. Phy. Chem. B, 119(4), 1362-1373 (2015)
    DOI: 10.1021/jp510822k
  • A. Löhner, A.-M. Carey, K. Hacking, N. Picken, S. Kelly, R. Cogdell, J. Köhler
    The origin of the split B800 absorption peak in the LH2 complexes from Allochromatium vinosum
    Photosynth. Res., 123, 23-31 (2015)
    DOI: 10.1007/s11120-014-0036-2
  • A. O. F. Jones, P. Knauer, R. Resel, A. Ringk, P. Strohriegl, O. Werzer, M. Sferrazza
    Thermal stability and molecular ordering of organic semiconductor monolayer: Effect of an anchor group
    Chem. Phys. Chem., 16, 1712-1718 (2015)
    DOI: 10.1002/cphc.201500098
  • C. Hunger, K. D. M. Rao, R. Gupta, C. R. Singh, G. U. Kulkarni, M. Thelakkat
    Transparent Metal Network with Low Haze and High Figure of Merit applied to Front and Back Electrodes in Semitransparent ITO-free Polymer Solar Cells
    Energy Technology, 3, 638-645 (2015)
    DOI: 10.1002/ente.201500014
  • S. A. Bagnich, A. Rudnick, P. Schroegel, P. Strohriegl, A. Köhler
    Triplet energies and excimer formation in meta- and para-linked carbazolebiphenyl matrix materials
    Phil.Trans.R. Soc. A, 373, 20140446 (2015)
    DOI: 10.1098/rsta.2014.0446
  • T. Unger, F. Panzer, C. Consani, F. Koch, T. Brixner, H. Bässler, A. Köhler
    Ultrafast Energy Transfer between Disordered and Highly Planarized Chains of Poly [2-methoxy-5-(2-ethylhexyloxy]-1,4-phenylenevinylene) (MEH-PPV)
    ACS Macro Lett., 4, 412-416 (2015)
    DOI: 10.1021/acsmacrolett.5b00133
  • M. Pajusalu, R. Kunz, M. Rätsep, K. Timpmann, J. Köhler, A. Freiberg
    Unified analysis of ensemble and single-complex optical spectral data from light harvesting 2 chromoproteins for gaining deeper insight into bacterial photosynthesis
    Phys. Rev. E, 92, 052709-1-052709-12 (2015)
    DOI: 10.1103/PhysRevE.92.052709
Publications of the year 2014
  • K.D.M. Rao, C. Hunger, R. Gupta, G. U. Kulkarni, M. Thelakkat
    A cracked polymer templated metal network as a transparent conducting electrode for ITO-free organic solar cells
    Phys. Chem. Chem. Phys., 16, 15107-15110 (2014)
    DOI: 10.1039/C4CP02250E
  • I. Fishchuk, A. Kadaschuk, S. T. Hoffmann, S. Athanasopoulos, J. Genoe, H. Bässler, A. Köhler
    Analytic model of hopping transport in organic semiconductors including both energetic disorder and polaronic contributions
    AIP Conf. Proc., 1610, 47-52 (2014)
    DOI: 10.1063/1.4893509
  • J. Y. Guan, J. M. Foerster, J. W. Drijfhout, M. Timmer, A. Blok, G. M. Ullmann, M. Ubbink
    An ensemble of rapidly interconverting orientations in electrostatic protein-Peptide complexes characterized by NMR spectroscopy
    Chem. Bio. Chem., 15(4), 556-566 (2014)
    DOI: 10.1002/cbic.201300623
  • M. Dauth, M. Wiessner, V. Feyer, A. Schöll, P. Puschnig, F. Reinert, S. Kümmel
    Angle resolved photoemission from organic semiconductors: orbital imaging beyond the molecular orbital interpretation
    New. J. Phys., 16, 103005-1-103005-17 (2014)
    DOI: 10.1088/1367-2630/16/10/103005
  • J. C. Brendel, M. M. Schmidt, G. Hagen, R. Moos, M. Thelakkat
    Controlled Synthesis of Water-Soluble Conjugated Polyelectrolytes Leading to Excellent Hole Transport Mobility
    Chem. Mater., 26(6), 1992-1998 (2014)
    DOI: 10.1021/cm500503t
  • L. Kronik, S. Kümmel
    Gas-phase valence-electron photoemission spectroscopy using density functional theory
    in C. di Valentin, S. Botti, M. Coccoccioni, eds.: Topics of Current Chemistry: First Principles Approaches to Spectroscopic Properties of Complex Materials; Springer, Berlin, 347, 137-192 (2014)
  • C. Schwarz, F. Milan, T. Hahn, M. Reichenberger, S. Kümmel, A. Köhler
    Ground State Bleaching at Donor-Acceptor Interfaces
    Adv. Funct. Mater., 24, 6439-6448 (2014)
    DOI: 10.1002/adfm.201400297
  • K. Neumann, C. Schwarz, A. Köhler, M. Thelakkat
    Influence of the Excited-State Charge-Transfer Character on the Exciton Dissociation in Donor-Acceptor Copolymers
    J. Phys. Chem. C, 118, 27-36 (2014)
    DOI: 10.1021/jp407014q
  • M. Jendrny, T.J. Aartsma, J. Köhler
    Insights into the Excitonic States of Individual Chlorosomes from Chlorobaculum tepidum
    Biophys. J., 106(9), 1921-1927 (2014)
    DOI: 10.1016/j.bpj.2014.03.020
  • F. Fischer, T. Hahn, H. Bässler, I. Bauer, P. Strohriegl, A. Köhler
    Measuring reduced C60 diffusion in crosslinked polymer films by optical spectroscopy
    Adv. Funct. Mater., 24, 6172-6177 (2014)
    DOI: 10.1002/adfm.201401153
  • M. Pärs, M. Gradmann, K. Gräf, P. Bauer, M. Thelakkat, J. Köhler
    Optical gating with organic building blocks. A quantitative model for the fluorescence modulation of photochromic perylene bisimide dithienylcyclopentene triads
    Sci. Rep., 4, 4316-1-4316-6 (2014)
    DOI: 10.1038/srep04316
  • D. A. Egger, S. Weissman, S. Refaely-Abramson, S. Sharifzadeh, M. Dauth, R. Baer, S. Kümmel, J. B. Neaton, E. Zojer, L. Kronik
    Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally-tuned range separated hybrid functional
    J. Chem. Theory Comput., 10, 1934-1952 (2014)
    DOI: 10.1021/ct400956h
  • K. Neumann, M. Thelakkat
    Perovskite Solar Cells Involving Poly(tetraphenylbenzidine)s: Investigation of Hole Carrier Mobility, Doping effects and Photovoltaic Properties
    RSC Advances, 4, 43550-43559 (2014)
    DOI: 10.1039/c4ra05564k
  • A. Neubig, M. Thelakkat
    Random vs. alternating donor-acceptor copolymers: A comparative study of absorption and field effect mobility
    Polymer, 55(11), 2621-2627 (2014)
    DOI: 10.1016/j.polymer.2014.04.004
  • R. Kunz, K. Timpmann, J. Southall, R. J. Cogdell, A. Freiberg, J. Köhler
    Single-Molecule Spectroscopy Unmasks the Lowest Exciton State of the B850 Assembly in LH2 from Rps. acidophila
    Biophys. J., 106(9), 2008-2016 (2014)
    DOI: 10.1016/j.bpj.2014.03.023
  • A. Issac, R. Hildner, C. Hippius, F. Würthner, J.Köhler
    Stepwise Decrease of Fluorescence versus Sequential Photobleaching in a Single Multichromophoric System
    ASC Nano, 8, 1708-1717 (2014)
    DOI: 10.1021/nn4060946
  • A. T. Haedler, S. R. Beyer, N. Hammer, R. Hildner, M. Kivala, J. Köhler, H.-W. Schmidt
    Synthesis and photophysical properties of multichromophoric carbonyl-bridged triarylamines
    Chem. Eur. J., 20, 11708-11718 (2014)
    DOI: 10.1002/chem.201403667
  • I. Diaz-Moreno, R. Hulsker, P. Skubak, J. M. Foerster, D. Cavazzini, M. G. Finiguerra, A. Diaz-Quintana, B.Moreno-Beltran, G.-L. Rossi, G. M. Ullmann, N. S. Pannu, M. A. De la Rosa, M. Ubbink
    The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy
    BBA Bioenergetics, 1837(8), 1305-1315 (2014)
    DOI: 10.1016/j.bbabio.2014.03.009
  • F. Panzer, H. Bässler, R. Lohwasser, M. Thelakkat, A. Köhler
    The Impact of Polydispersity and Molecular Weight on the Order–Disorder Transition in Poly(3-hexylthiophene)
    J. Phys. Chem. Lett., 5, 2742-2747 (2014)
    DOI: 10.1021/jz5009938
  • R. Schmidt, M. Pärs, T. Weller, M. Thelakkat and J.Köhler
    Trapping on demand: External regulation of excitation energy transfer in a photoswitchable smart matrix
    Appl. Phys. Lett., 104, 013304-1-013304-4 (2014)
    DOI: 10.1063/1.4860984
  • D. Brinks, R. Hildner, E. M. H. P. van Dijk, F. D. Stefani, J. B. Nieder, J. Hernando, N. F. van Hulst
    Ultrafast dynamics of single molecules
    Chem. Soc. Rev., 43, 2476-2491 (2014)
    DOI: 10.1039/c3cs60269a
  • I. Marr, K. Neumann, M. Thelakkat, R. Moos
    Undoped and doped poly(tetraphenylbenzidine) as sensitive material for an impedimetric nitrogen dioxide gas dosimeter
    Appl. Phys. Lett., 105, 133301-1-133301-3 (2014)
    DOI: 10.1063/1.4896847
  • F. Spreitler, M. Sommer, M. Hollfelder, M. Thelakkat, S. Gekle, J. Köhler
    Unravelling the conformations of di-(perylene bisimide acrylate) by combining time-resolved fluorescence-anisotropy experiments and molecular modeling
    Phys. Chem. Chem. Phys., 16, 25959-25968 (2014)
    DOI: 10.1039/c4cp03064h
Publications of the year 2013
  • P. Bauer, M. Sommer, J. Thurn, M. Pärs, J. Köhler, M. Thelakkat
    A Photoswitchable Poly(3-hexylethiophene)
    Chem. Commun., 49, 4637-4639 (2013)
    DOI: 10.1039/C3CC41765D
  • A. T. Haedler, H. Misslitz, C. Buehlmeyer, R. Q. Albuquerque, A. Köhler, H.-W. Schmidt
    Controlling the π-Stacking Behavior of Pyrene Derivatives: Influence of H-Bonding and Steric Effects in Different States of Aggregation
    Chem. Phys. Chem., 14, 1818-1829 (2013)
    DOI: 10.1002/cphc.201300242
  • D. Hofmann-Mees, H. Appel, M. Di Ventra and S. Kümmel
    Determining Excitation-Energy Transfer Times and Mechanisms from Stochastic Time-Dependent Density Functional Theory
    Phys. Chem. B, 117, 14408-14419 (2013)
    DOI: 10.1021/jp404982d
  • P. S. Böhm, R. Kunz, J. Southall, R. J. Cogdell, J. Köhler
    Does the Reconstitution of RC-LH1 Complexes from Rhodopseudomonas acidophila Strain 10050 into a Phospholipid Bilayer Yield the Optimum Environment for Optical Spectroscopy?
    J. Phys. Chem. B, 117, 15004-15013 (2013)
    DOI: 10.1021/jp409980k
  • A. Karolewski, R. Armiento, S. Kümmel
    Electronic excitations and the Becke-Johnson potential: The need for and the problem of transforming model potentials to functional derivatives
    Phys. Rev. A, 88, 052519-1-052519-9 (2013)
    DOI: 10.1103/PhysRevA.88.052519
  • R. Kunz, K.Timpmann, J. Southall, R. J. Cogdell, A. Freiberg, J. Köhler
    Fluctuations in the Electron–Phonon Coupling of a Single Chromoprotein
    Angew. Chem. Int. Ed., 52, 8726-8730 (2013)
    DOI: 10.1002/anie.201303231
  • R. Kunz, K. Timpmann, J. Southall, R. J. Cogdell, J. Köhler, A. Freiberg
    Fluorescence-Excitation and Emission Spectra from LH2 Antenna Complexes of Rhodopseudomonas acidophila as a Function of the Sample Preparation Conditions
    J. Phys. Chem. B, 117, 12020-12029 (2013)
    DOI: 10.1021/jp4073697
  • P. Goldberg-Oppenheimer, D. Kabra, S. Vignolini, S. Hüttner, M. Sommer, K. Neumann, M. Thelakkat, U. Steiner
    Hierarchical Orientation of Crystallinity by Block-Copolymer Patterning and Alignment in an Electric Field
    Chem. of Mater., 25, 1063-1070 (2013)
    DOI: 10.1021/cm3038075
  • S. T. Hoffmann, F. Jaiser, A.Hayer, H. Bässler, T. Unger, S. Athanasopoulos, D. Neher, A. Köhler
    How do Disorder, Reorganization and Localization Influence the Hole Mobility in Conjugated Copolymers?
    J. Am. Chem. Soc., 135(5), 1772-1782 (2013)
    DOI: 10.1021/ja308820j
  • A. Sumino, T. Dewa, T. Noji, Y. Nakano, N. Watanabe, R. Hildner, N., J. Köhler, M. Nango
    Influence of Phospholipid Composition on Self-Assembly and Energy-Transfer Efficiency in Networks of Light-Harvesting 2 Complexes
    J. Phys. Chem. B, 117, 10395-10404 (2013)
    DOI: 10.1021/jp4047819
  • S. Scanu, J. M. Förster, M. Timmer, G. M. Ullmann, M. Ubbink
    Loss of Electrostatic Interactions Causes Increase of Dynamics within the Plastocyanin-Cytochrome f Complex
    Biochemistry, 52, 6615-6626 (2013)
    DOI: 10.1021/bi400450q
  • P. Strohriegl, D. Wagner, P. Schrögel, S. Hoffmann, A. Köhler, Ute Heinemeyer, I. Münster, C. Lennartz
    Novel Host Materials for Blue Phosphorescent OLEDs
    Proc. SPIE, 8829 (2013)
    DOI: 10.1117/12.2023305
  • A. Karolewski, A. Neubig, M. Thelakkat, S. Kümmel
    Optical absorption in donor-acceptor polymers - alterning vs. random
    Phys. Chem. Chem. Phys., 15, 20016-20025 (2013)
    DOI: 10.1039/c3cp52739e
  • M. Pärs, K. Gräf, P. Bauer, M. Thelakkat, J. Köhler
    Optical gating of perylene bisimide fluorescence using dithienylcyclopentene photochromic switches
    Appl. Phys. Lett., 103, 221115-1-221115-4 (2013)
    DOI: 10.1063/1.4837355
  • P. Strohriegl, P. Knauer, C. Saller, E. Scheler
    Patternable conjugated polymers for organic solar cells
    Proc. SPIE, 8830 (2013)
    DOI: 10.1117/12.2023899
  • G. M. Ullmann, E. Bombarda
    pKa values and redox potentials of proteins. What do they mean?
    Biol. Chem., 394(5), 611-619 (2013)
    DOI: 10.1515/hsz-2012-0329
  • D. Brinks, M. Castro-Lopez, R. Hildner, N. F. van Hulst
    Plasmonic Antennas as Design Elements for Coherent Ultrafast Nanophotonics
    Proc. Natl. Acad. U.S.A., 110, 18386-18390 (2013)
    DOI: 10.1073/pnas.1308652110
  • R. Hildner, D. Brinks, J. B. Nieder, R. J. Cogdell, N. F. van Hulst
    Quantum Coherent Energy Transfer over Varying Pathways in Single Light-Harvesting Complexes
    Science, 340, 1448-1451 (2013)
    DOI: 10.1126/science.1235820
  • S. Scanu, J. M. Förster,G. M. Ullmann, M. Ubbink
    Role of Hydrophobic Interactions in the Encounter Complex Formation of the Plastocyanin and Cytochrome f Complex Revealed by Paramagnetic NMR Spectroscopy
    J. Am. Chem. Soc., 135, 7681-7692 (2013)
    DOI: 10.1021/ja4015452
  • C. Schwarz, S. Tscheuschner, J. Frisch, S. Winkler, N. Koch, H. Bässler, A. Köhler
    Role of the effective mass and interfacial dipoles on exciton dissociation in organic donor-acceptor solar cells
    Phys. Rev. B, 87, 155205-1-155205-13 (2013)
    DOI: 10.1103/PhysRevB.87.155205
  • P. S. Böhm, J. Southall, R. J. Cogdell, J. Köhler
    Single-Molecule Spectroscopy on RC-LH1 Complexes of Rhodopseudomonas acidophila Strain 10050
    J. Phys. Chem. B, 117, 3120-3126 (2013)
    DOI: 10.1021/jp4005218
  • A. Bernet, M. Behr, R. Q. Albuquerque, M. Schmidt, J. Senker, H.-W. Schmidt
    Supramolecular Chromaticity and Thermoresponsive Hydrogels: A Self-Assembly Study on Maleamic Acid-Based Amphiphiles
    Progress in Colloid and Polymer Science, 140, 1-13 (2013)
    DOI: 10.1007%2F978-3-319-01683-2_1
  • K. Gräf, T. Körzdörfer, S. Kümmel, M. Thelakkat
    Synthesis of donor-substituted meso -phenyl and meso -ethynylphenyl BODIPYs with broad absorption
    New J. Chem., 37, 1417-1426 (2013)
    DOI: 10.1039/c3nj00157a
  • R. Q. Albuquerque, A. Timme, R. Kress, J. Senker, H.-W. Schmidt
    Theoretical Investigation of Macrodipoles in Supramolecular Columnar Stackings
    Chem. Eur. J., 19, 1647-1657 (2013)
    DOI: 10.1002/chem.201202507
  • H. Yamagata, N. J. Hestand, F. C. Spano, A. Köhler, C. Scharsich, S. T. Hoffmann, H. Bässler
    The red-phase of poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV): A disordered HJ-aggregate
    J. Chem. Phys., 139, 114903-1-114903-14 (2013)
    DOI: 10.1063/1.4819906
  • S. Athanasopoulos, S. T. Hoffmann, H. Bässler, A. Köhler, D. Beljonne
    To hop or not to hop? Understanding the temperature dependence of spectral diffusion in organic semiconductors
    J. Phys. Chem. Lett., 4, 1697-1700 (2013)
    DOI: 10.1021/jz400480a
  • D. Wagner, S.T. Hofmann, U. Heinemeyer, I. Münster, A. Köhler, P. Strohriegl
    Triazine based bipolar host materials for blue phosphorescent OLEDs
    Chem. of Mater., 25, 3758-3765 (2013)
    DOI: 10.1021/cm4023216
  • I. I. Fishchuk, A. Kadashchuk, S. T. Hoffmann, S. Athanasopoulos, J. Genoe, H. Bässler, A. Köhler
    Unified description for hopping transport in organic semiconductors including both energetic disorder and polaronic contributions
    Phys. Rev. B, 88, 125202-1-125202-11 (2013)
    DOI: 10.1103/PhysRevB.88.125202
  • A. Karolewski, L. Kronik, S. Kümmel
    Using optimally tuned range separated hybrid functionals in ground-state calculations: Consequences and caveats
    J. Chem. Phys., 138, 204115-1-204115-11 (2013)
    DOI: 10.1063/1.4807325
Publications of the year 2012
  • A. Köhler, S. T. Hoffmann, H. Bässler
    An Order-Disorder Transition in the Conjugated Polymer MEH-PPV
    J. Am. Chem. Soc., 134, 11594-11601 (2012)
    DOI: 10.1021/ja302408a
  • F. Spreitler , M. Sommer , M. Thelakkat, J. Köhler
    Conformational dynamics of di-(perylene bisimide acrylate) and its footprints in steady-state, time-resolved, and fluorescence-correlation spectroscopy
    Phys. Chem. Chem. Phys., 14, 7971-7980 (2012)
    DOI: 10.1039/C2CP40387K
  • C. Scharsich, R.H. Lohwasser, M. Sommer, U. Asawapirom, U. Scherf, M. Thelakkat, D. Neher, A. Köhler
    Control of aggregate formation in poly(3-hexylthiophene) by solvent, molecular weight, and synthetic method
    J. Polym. Sci. Part B: Polym. Phys., 50(6), 442-453 (2012)
    DOI: 10.1002/polb.23022
  • C. Schwarz, H. Bässler, I. Bauer, J.-M. Koenen, E. Preis, U. Scherf, A. Köhler
    Does Conjugation Help Exciton Dissociation? A Study on Poly(p-phenylene)s in Planar Heterojunctions with C60 or TNF
    Adv. Mater., 24(7), 922-925 (2012)
    DOI: 10.1002/adma.201104063
  • R. Kunz, K. Timpmann, J. Southall, R. J. Cogdell, A. Freiberg J. Köhler
    Exciton Self Trapping in Photosynthetic Pigment−Protein Complexes Studied by Single-Molecule Spectroscopy
    J. Phys. Chem. B, 116, 11017-11023 (2012)
    DOI: 10.1021/jp3040456
  • M. Jendrny, T. J. Aartsma, J. Köhler
    Fluorescence Excitation Spectra from Individual Chlorosomes of the Green Sulfur Bacterium Chlorobaculum tepidum
    J. Phys. Chem. Lett., 3, 3745-3750 (2012)
    DOI: 10.1021/jz301808h
  • A. Bernet, R.Q. Albuquerque, M. Behr, S.T. Hoffmann, H.-W. Schmidt
    Formation of a supramolecular chromophore: a spectroscopic and theoretical study
    Soft Matter, 8, 66-69 (2012)
    DOI: 10.1039/c1sm06789c
  • S. T. Hoffmann, S. Athanasopoulos, D. Beljonne, H. Bässler, A. Köhler
    How do Triplets and Charges Move in Disordered Organic Semiconductors? A Monte Carlo Study Comprising the Equilibrium and Nonequilibrium Regime
    J. Phys. Chem. C, 116, 16371-16383 (2012)
    DOI: 10.1021/jp305062p
  • D. Hofmann, S. Kümmel
    Integer particle preference during charge transfer in Kohn-Sham theory
    Phys. Rev. B., 86, 201109 (2012)
    DOI: 10.1103/PhysRevB.86.201109
  • A. Hayer, T. Van Regemorter, B. Höfer, C.S.K. Mak, D. Beljonne, A. Köhler
    On the formation mechanism for electrically generated exciplexes in a carbazole-pyridine copolymer
    J. Polym. Sci. Part B: Polym. Phys., 50(5), 361-369 (2012)
    DOI: 10.1002/polb.23011
  • A. Köhler
    Organic semiconductors: No more breaks for electrons
    Nature Materials, 11, 836-837 (2012)
    DOI: 10.1038/nmat3427
  • D. Hofmann, S. Kümmel
    Self-Interaction correction in a real-time Kohn-Sham scheme: Access to difficult excitations in time-dependent density functional theory
    J. Chem. Phys., 137, 064117 (2012)
    DOI: 10.1063/1.4742763
  • A. Issac, R. Hildner, D. Ernst, C. Hippius, Frank Würthner, J. Köhler
    Single molecule studies of calix[4]arene-linked perylene bisimide dimers: relationship between blinking, lifetime and/or spectral fluctuations
    Phys. Chem. Chem. Phys., 14, 10789-10798 (2012)
    DOI: 10.1039/c2cp41250k
  • J. Köhler
    Supramolecular dye aggregates: Nanotube knockout
    Nature Chemistry, 4, 589-600 (2012)
    DOI: 10.1038/nchem.1410
Publications of the year 2011
  • M. Pärs, C.C. Hofmann, K. Willinger, P. Bauer, M. Thelakkat, J. Köhler
    An Organic Optical Transistor Operated under Ambient Conditions
    Angew. Chem. Int. Ed., 50(48), 11405-11408 (2011)
    DOI: 10.1002/anie.201104193
  • F. Rissner, D. A. Egger, A. Natan, T. Körzdörfer, S. Kümmel, L. Kronik, E. Zojer
    Collectively Induced Quantum-Confined Stark Effect in Monolayers of Molecules Consisting of Polar Repeating Units
    J. Am. Chem. Soc., 133(46), 18634-18645 (2011)
    DOI: 10.1021/ja203579c
  • A. Karolewski, T. Stein, R. Baer, S. Kümmel
    Communication: Tailoring the optical gap in light-harvesting molecules
    J. Chem. Phys., 134(15), 151101-1-151101-4 (2011)
    DOI: 10.1063/1.3581788
  • R. Q. Albuquerque, C. C. Hofmann, J. Köhler, A. Köhler
    Diffusion-Limited Energy Transfer in Blends of Oligofluorenes with an Anthracene Derivative
    J. Phys. Chem. B, 115(25), 8063-8070 (2011)
    DOI: 10.1021/jp202333w
  • S.R. Beyer, S. Ullrich, S. Kudera, A.T. Gardiner, R.J. Cogdell, J. Köhler
    Hybrid Nanostructures for Enhanced Light-Harvesting: Plasmon Induced Increase in Fluorescence from Individual Photosynthetic Pigment-Protein Complexes
    Nano Lett., 11(11), 4897-4901 (2011)
    DOI: 10.1021/nl202772h
  • S. Jang, R.J. Silbey, R. Kunz, C. Hofmann, J. Köhler
    Is there Elliptic Distortion in the Light Harvesting Complex 2 of Purple Bacteria?
    J. Phys. Chem. B, 115(44), 12947-12953 (2011)
    DOI: 10.1021/jp202344s
  • A. S. Lang, M. Thelakkat
    Modular synthesis of poly(perylene bisimides) using click chemistry: a comparative study
    Polym. Chem., 2, 2213-2221 (2011)
    DOI: 10.1039/c1py00191d
  • M. Dauth, T. Körzdörfer, S. Kümmel, J. Ziroff, M. Wiessner, A. Schöll, F. Reinert, M. Arita, K. Shimada
    Orbital density reconstruction for molecules
    Physical Review Letters, 107, 193002 (2011)
    DOI: 10.1103/PhysRevLett.107.193002
  • D. Herrmann, S. Niesar, C. Scharsich, A. Köhler, M. Stutzmann, E. Riedle
    Role of Structural Order and Excess Energy on Ultrafast Free Charge Generation in Hybrid Polythiophene/Si Photovoltaics Probed in Real Time by Near-Infrared Broadband Transient Absorption
    J. Am. Chem. Soc., 133(45), 18220-18233 (2011)
    DOI: 10.1021/ja207887q
  • T.J. Pflock, S. Oellerich, J. Southall, R.J. Cogdell, G.M. Ullmann, J. Köhler
    The Electronically Excited States of LH2 Complexes from Rhodopseudomonas acidophila Strain 10050 Studied by Time-Resolved Spectroscopy and Dynamic Monte Carlo Simulations. I. Isolated, Non-Interacting LH2 Complexes
    J. Phys. Chem. B, 115(28), 8813-8820 (2011)
    DOI: 10.1021/jp202353c
  • T.J. Pflock, S. Oellerich, L. Krapf, J. Southall, R.J. Cogdell, G.M. Ullmann, J. Köhler
    The Electronically Excited States of LH2 Complexes from Rhodopseudomonas acidophila Strain 10050 Studied by Time-Resolved Spectroscopy and Dynamic Monte Carlo Simulations. II. Homo-Arrays Of LH2 Complexes Reconstituted Into Phospholipid Model Membranes
    J. Phys. Chem. B, 115(28), 8821-8831 (2011)
    DOI: 10.1021/jp2023583
  • S.T. Hoffmann, P. Schrögel, M. Rothmann, R.Q. Albuquerque, P. Strohriegl, A. Köhler
    Triplet Excimer Emission in a Series of 4,4′-Bis(N-carbazolyl)-2,2′-biphenyl Derivatives
    J. Phys. Chem. B, 115(3), 414-421 (2011)
    DOI: 10.1021/jp107408e
  • S.T. Hoffmann, J.-M. Koenen, U. Scherf, I. Bauer, P. Strohriegl, H. Bässler, A. Köhler
    Triplet-Triplet Annihilation in a Series of Poly(p-phenylene) Derivatives
    J. Phys. Chem. B, 115(26), 8417-8423 (2011)
    DOI: 10.1021/jp202763e