Professur für Theoretische Physik mit dem Schwerpunkt Elektronentransport in Molekülen

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Erpenbeck, A., Götzendörfer, L., Schinabeck, C., & Thoss, M. (2019). Hierarchical quantum master equation approach to charge transport in molecular junctions with time-dependent molecule-lead coupling strengths. European Physical Journal-Special Topics, 227(15-16), 1981-1994. https://dx.doi.org/10.1140/epjst/e2018-800083-0
Casillas Pacheco, R., Adam, M., Brana Coto, P., Waterloo, A., Zirzlmeier, J., Reddy, S.R.,... Guldi, D.M. (2019). Intermolecular Singlet Fission in Unsymmetrical Derivatives of Pentacene in Solution. Advanced Energy Materials, 9(2). https://dx.doi.org/10.1002/aenm.201802221
Basel, B., Zirzlmeier, J., Hetzer, C., Seelam, R.R., Phelan, B.T., Krzyaniak, M.D.,... Guldi, D.M. (2018). Evidence for Charge-Transfer Mediation in the Primary Events of Singlet Fission in a Weakly Coupled Pentacene Dimer. Chem, 4(5), 1092-1111. https://dx.doi.org/10.1016/j.chempr.2018.04.006
Leitherer, S., Jager, C.M., Krause, A., Halik, M., Clark, T., & Thoss, M. (2017). Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions. Physical Review Materials, 1(6). https://dx.doi.org/10.1103/PhysRevMaterials.1.064601
Basel, B., Zirzlmeier, J., Hetzer, C., Phelan, B.T., Krzyaniak, M.D., Seelam, R.R.,... Guldi, D.M. (2017). Unified model for singlet fission within a non-conjugated covalent pentacene dimer. Nature Communications, 8. https://dx.doi.org/10.1038/ncomms15171
Leitherer, S., Brana Coto, P., Ullmann, K., Weber, H.B., & Thoss, M. (2017). Charge Transport in C60-based Single-Molecule Junctions with Graphene Electrodes. Nanoscale, 9(21), 7217-7226. https://dx.doi.org/10.1039/C7NR00170C
Richardson, J., Meyer, P., Pleinert, M.-O., & Thoss, M. (2017). An analysis of nonadiabatic ring-polymer molecular dynamics and its application to vibronic spectra. Chemical Physics, 482, 124-134. https://dx.doi.org/10.1016/j.chemphys.2016.09.036
Hofmeister, C., Coto, P.B., & Thoss, M. (2017). Controlling the conductance of molecular junctions using proton transfer reactions: A theoretical model study. Journal of Chemical Physics, 146(9). https://dx.doi.org/10.1063/1.4974512
Schmaltz, T., Gothe, B., Krause, A., Leitherer, S., Steinrück, H.-G., Thoss, M.,... Halik, M. (2017). Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors. Acs Nano. https://dx.doi.org/10.1021/acsnano.7b02394
Niklaus, L., Dakhil, H., Kostrzewa, M.M., Brana Coto, P., Sonnewald, U., Wierschem, A., & Costa Riquelme, R.D. (2016). Easy and versatile coating approach for long-living white hybrid light-emitting diodes. Materials Horizons, 3(4), 340-347. https://dx.doi.org/10.1039/c6mh00038j
Schinabeck, C., Erpenbeck, A., Haertle, R., & Thoss, M. (2016). Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems. Physical Review B, 94(20). https://dx.doi.org/10.1103/PhysRevB.94.201407
Erpenbeck, A., Haertle, R., Bockstedte, M.G., & Thoss, M. (2016). Vibrationally dependent electron-electron interactions in resonant electron transport through single-molecule junctions. Physical Review B, 93(11), 115421. https://dx.doi.org/10.1103/PhysRevB.93.115421
Zirzlmeier, J., Casillas, R., Reddy, R., Coto, P.B., Lehnherr, D., Chernick, E.,... Guldi, D.M. (2016). Solution-based intramolecular singlet fission in cross-conjugated pentacene dimers. Nanoscale, 8(19), 10113-10123. https://dx.doi.org/10.1039/C6NR02493A
Weber, M., Niklaus, L., Pröschel, M., Brana Coto, P., Sonnewald, U., & Costa Riquelme, R.D. (2015). Bioinspired Hybrid White Light-Emitting Diodes. Advanced Materials, 27(37), 5493-5498. https://dx.doi.org/10.1002/adma.201502349
Ullmann, K., Brana Coto, P., Leitherer, S., Molina-Ontoria, A., Martin, N., Thoss, M., & Weber, H.B. (2015). Single-Molecule Junctions with Epitaxial Graphene Nanoelectrodes. Nano Letters, 15, 3512-3518. https://dx.doi.org/10.1021/acs.nanolett.5b00877
Erpenbeck, A., Haertle, R., & Thoss, M. (2015). Effect of nonadiabatic electronic-vibrational interactions on the transport properties of single-molecule junctions. Physical Review B, 91(19), 195418. https://dx.doi.org/10.1103/PhysRevB.91.195418
Brana Coto, P., Sharifzadeh, S., Neaton, J.B., & Thoss, M. (2015). Low-Lying Electronic Excited States of Pentacene Oligomers: A Comparative Electronic Structure Study in the Context of Singlet Fission. Journal of Chemical Theory and Computation, 11(1), 147--156. https://dx.doi.org/10.1021/ct500510k
Zirzlmeier, J., Lehnherr, D., Brana Coto, P., Chernick, E., Casillas, R., Basel, B.,... Guldi, D.M. (2015). Singlet fission in pentacene dimers. Proceedings of the National Academy of Sciences of the United States of America, 112(17), 5325--5330. https://dx.doi.org/10.1073/pnas.1422436112
Schinabeck, C., Härtle, R., Weber, H.B., & Thoss, M. (2014). Current noise in single-molecule junctions induced by electronic-vibrational coupling. Physical Review B, 90(7). https://dx.doi.org/10.1103/PhysRevB.90.075409
Leitherer, S., Jäger, C., Halik, M., Clark, T., & Thoss, M. (2014). Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors. Journal of Chemical Physics, 140, 204702. https://dx.doi.org/10.1063/1.4876035

Zuletzt aktualisiert 2019-24-07 um 23:51