Publications of Denis Andrienko

Gryn'ova, G.; Nicolai, A.; Prlj, A.; Ollitrault, P.; Andrienko, D.; Corminboeuf, C.: Charge transport in highly ordered organic nanofibrils: lessons from modelling. Journal of Materials Chemistry C: Materials for Optical and Electronic Devices 5 (2), pp. 350 - 361 (2017)

Laquai, F.; Andrienko, D.; Deibel, C.; Neher, D.: Charge Carrier Generation, Recombination, and Extraction in Polymer-Fullerene Bulk Heterojunction Organic Solar Cells. Advances in Polymer Science 272, pp. 267 - 291 (2017)

Martin Sabanes, N.; Ohto, T.; Andrienko, D.; Nagata, Y.; Domke, K. F.: Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111). Angewandte Chemie International Edition 56 (33), pp. 9796 - 9801 (2017)

Melnyk, A.; Junk, M. J. N.; McGehee, M. D.; Chmelka, B. F.; Hansen, M. R.; Andrienko, D.: Macroscopic Structural Compositions of pi-Conjugated Polymers: Combined Insights from Solid-State NMR and Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters 8 (17), pp. 4155 - 4160 (2017)

Schulz, G. L.; Fischer, F. S. U.; Trefz, D.; Melnyk, A.; Hamidi-Sakr, A.; Brinkmann, M.; Andrienko, D.; Ludwigs, S.: The PCPDTBT Family: Correlations between Chemical Structure, Polymorphism, and Device Performance. Macromolecules 50 (4), pp. 1402 - 1414 (2017)

Steiner, F.; Poelking, C.; Niedzialek, D.; Andrienko, D.; Nelson, J.: Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films. Physical Chemistry Chemical Physics 19 (17), pp. 10854 - 10862 (2017)

Bereau, T.; Andrienko, D.; Kremer, K.: Research Update: Computational materials discovery in soft matter. APL Materials 4 (5), 053101 (2016)

D'Avino, G.; Muccioli, L.; Castet, F.; Poelking, C.; Andrienko, D.; Soos, Z. G.; Cornil, J.; Beljonne, D.: Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics. Journal of Physics: Condensed Matter 28 (43), 433002 (2016)

Kordt, P.; Andrienko, D.: Modeling of Spatially Correlated Energetic Disorder in Organic Semiconductors. Journal of Chemical Theory and Computation 12 (1), pp. 36 - 40 (2016)

Kordt, P.; Speck, T.; Andrienko, D.: Finite-size scaling of charge carrier mobility in disordered organic semiconductors. Physical Review B 94 (1), 014208 (2016)

Poelking, C.; Andrienko, D.: Long-Range Embedding of Molecular Ions and Excitations in a Polarizable Molecular Environment. Journal of Chemical Theory and Computation 12 (9), pp. 4516 - 4523 (2016)

Scherer, C.; Andrienko, D.: Comparison of systematic coarse-graining strategies for soluble conjugated polymers. European Physical Journal - Special Topics 225 (8-9), pp. 1441 - 1461 (2016)

Schwarze, M.; Tress, W.; Beyer, B.; Gao, F.; Scholz, R.; Poelking, C.; Ortstein, K.; Günther, A. A.; Kasemann, D.; Andrienko, D. et al.; Leo, K.: Band structure engineering in organic semiconductors. Science 352 (6292), pp. 1446 - 1449 (2016)

Bereau, T.; Andrienko, D.; von Lilienfeld, O. A.: Transferable Atomic Multipole Machine Learning Models for Small Organic Molecules. Journal of Chemical Theory and Computation 11 (7), pp. 3225 - 3233 (2015)

Etzold, F.; Howard, I. A.; Forler, N.; Melnyk, A.; Andrienko, D.; Hansen, M. R.; Laquai, F.: Sub-ns triplet state formation by non-geminate recombination in PSBTBT: PC70BM and PCPDTBT:PC60BM organic solar cells. Energy & Environmental Science 8 (5), pp. 1511 - 1522 (2015)

Gemünden, P.; Poelking, C.; Kremer, K.; Daoulas, K.; Andrienko, D.: Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors. Macromolecular Rapid Communications 36 (11), pp. 1047 - 1053 (2015)

Kordt, P.; Stodtmann, S.; Badinski, A.; Al Helwi, M.; Lennartz, C.; Andrienko, D.: Parameter-free continuous drift-diffusion models of amorphous organic semiconductors. Physical Chemistry Chemical Physics 17 (35), pp. 22778 - 22783 (2015)

Kordt, P.; van der Holst, J. J. M.; Al Helwi, M.; Kowalsky, W.; May, F.; Badinski, A.; Lennartz, C.; Andrienko, D.: Modeling of Organic Light Emitting Diodes: From Molecular to Device Properties. Advanced Functional Materials 25 (13), pp. 1955 - 1971 (2015)

Laquai, F.; Andrienko, D.; Mauer, R.; Blom, P. W. M.: Charge Carrier Transport and Photogeneration in P3HT:PCBM Photovoltaic Blends. Macromolecular Rapid Communications 36 (11), pp. 1001 - 1025 (2015)

Poelking, C.; Andrienko, D.: Design Rules for Organic Donor-Acceptor Heterojunctions: Pathway for Charge Splitting and Detrapping. Journal of the American Chemical Society 137 (19), pp. 6320 - 6326 (2015)