Project description
Project W04 studies energy and charge transfer in hybrid organic-inorganic heterostructures combining layered semiconductors with organic molecules. By exploiting complementary excitonic properties, i.e., high mobility in TMDCs and high quantum yield in molecular layers, it investigates interlayer and charge-transfer excitons with long lifetimes and tuneable dipole moments. Using time- resolved spectroscopy guided by modelling and machine learning, the project explores how band alignment and ferroelectric polarisation control exciton dynamics and optoelectronic response.
Prof. Oliver Kühn
Phone: +49 (0)381 498 6950
oliver.kuehnuni-rostockde
Publications
- Long-Lived Photoluminescence of Photostable One-Dimensional Picoperovskites
M. Tomoscheit, J. Schöer, J.S. Virdee, S. Wolter, R. Schwartz, S. Lochbrunner, C.E. Patrick, R.J. Kashtiban and T. Korn
Small Science 6(2), e202500427 (2026)
- Ferroelectric Control of Interlayer Excitons in 3R-MoS2/MoSe2 Heterostructures
J. Schwandt-Krause, M.E. Miloudi, E. Blundo, S. Deb, J.N. Heidkamp, K. Watanabe, T. Taniguchi, R. Schwartz, A. Stier, J.J. Finley, O. Kühn and T. Korn
Nano Lett.26(1), 214–221 (2026)
- Chemical control of mechanical anisotropy and band alignment in perylene-based two-dimensional MoS2-organic hybrids
M.E. Miloudi and O. Kühn
2D Mater.13, 015022 (2026)
- BSE@GW-based protocol for spin-vibronic quantum dynamics using the linear vibronic coupling model. Formulation and application to an Fe(ii) compound
F. Bogdain, S. Mai, L. González and O. Kühn
Phys. Chem. Chem. Phys. 27, 15609-15621 (2025)
- Characterizing Interlayer Excitons by Spectral Signature in Scattering Visible Near-Field Microscopy
O. Garrity, I. Niehues, A. Bergmann-Iwe, A. Wróblewska, L. Pirker, A. Bukhari, G. Hlawacek, T. Korn, O. Frank and P. Kusch
J. Phys. Chem. Lett. 16(27), 6960–6967 (2025)
- Having a good vibe: strong coupling to the electronic system creates incoherent and coherent phonons in 1L-TMDCs
T. Völzer, M. Krupp, J. Schröer, A. Bergmann-Iwe, T. Korn and S. Lochbrunner
2D Mater. 12, 035012 (2025)
- Performance of the Bethe-Salpeter Equation for Electronic Excitations in First-Row Transition Metal Complexes
F. Bogdain and O. Kühn
J. Chem. Theory Comput. 21(9), 4494–4505 (2025)
- From structural stability to electronic flexibility: Unveiling strain-induced effects in a MoS2/perylene orange hybrid system
M. El Amine Miloudi und O. Kühn
Phys. Rev. B 110, 245307 (2024)
- Excitonic signatures of ferroelectric order in parallel-stacked MoS2
S. Deb, J. Krause, P.E. Jr. Faria, M.A. Kempf, R. Schwartz, K. Watanabe, T. Taniguchi, J. Fabian and T. Korn
Nat Commun 15, 7595 (2024)
- Two-dimensional antimonene as a potential candidate for dioxin capture
M. Meshhal, A.A. Ahmed, M.F. Shibl, S. Aziz, O. Kühn, and K.A. Soliman
Phys. Chem. Chem. Phys. 26(34), 22539-22548 (2024)
- The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G.L. Manni, I.F. Galván, A. Alavi, F. Aleotti, F. Aquilante, J. Autschbach, D. Avagliano, A. Baiardi, J.J. Bao, S. Battaglia, L. Birnoschi, A. Blanco-González, S.I. Bokarev, R. Broer, R. Cacciari, P.B. Calio, R.K. Carlson, R.C. Couto, L. Cerdán, L.F. Chibotaru, N.F. Chilton, J.R. Church, I. Conti, S. Coriani, J. Cuéllar-Zuquin, R.E. Daoud, N. Dattani, P. Decleva, C. de Graaf, M.G. Delcey, L. De Vico, W. Dobrautz, S.J.S. Dong, R.L. Feng, N. Ferré, M. Filatov, L. Gagliardi, M. Garavelli, L. González, Y.F. Guan, M.Y. Guo, M.R. Hennefarth, M.R. Hermes, C.E. Hoyer, M. Huix-Rotllant, V.K. Jaiswal, A. Kaiser, D.S. Kaliakin, M. Khamesian, D.S. King, V. Kochetov, M. Krosnicki, A.A. Kumaar, E.D. Larsson, S. Lehtola, M.B. Lepetit, H. Lischka, P.L. Ríos, M. Lundberg, D.X. Ma, S. Mai, P. Marquetand, I.C.D. Merritt, F. Montorsi, M. Mörchen, A. Nenov, V.H.A. Nguyen, Y. Nishimoto, M.S. Oakley, M. Olivucci, M. Oppel, D. Padula, R. Pandharkar, Q.M. Phung, F. Plasser, G. Raggi, E. Rebolini, M. Reiher, I. Rivalta, D. Roca-Sanjuán, T. Romig, A.A. Safari, A. Sánchez-Mansilla, A.M. Sand, I. Schapiro, T.R. Scott, J. Segarra-Martí, F. Segatta, D.C. Sergentu, P. Sharma, R. Shepard, Y.N. Shu, J.K. Staab, T.P. Straatsma, L.K. Sorensen, B.N.C. Tenorio, D.G. Truhlar, L. Ungur, M. Vacher, V. Veryazov, T.A. Voss, O. Weser, D.H. Wu, X.C. Yang, D. Yarkony, C. Zhou, J.P. Zobel and R. Lindh
J. Chem. Theory Comput. 19(20), 6933–6991 (2023)
- Rapid Spin Depolarization in the Layered 2D Ruddlesden–Popper Perovskite (BA)(MA)PbI
M. A. Kempf, P. Moser, M. Tomoscheit, J. Schröer, J.-C. Blancon, R. Schwartz, S. Deb, A. Mohite, A. V. Stier, J. J. Finley and T. Korn
ACS Nano Article 17(24), 25459-25467 (2023)
- Density Functional Theory Study of Inducing Piezoelectric Response via Functionalization of a Sc2C Nanosheet: Implications for Energy Conversion and Storage
K. E. El-Kelany, S. Abdel-Azeim, O. Kühn, A. Elzatahry and M. F. Shibl
ACS Appl. Nano Mater. 6(15), 14040–14048 (2023)
- Strong Quenching of Dye Fluorescence in Monomeric Perylene Orange/TMDC Hybrid Structures
T. Völzer, A. Schubert, E. von der Oelsnitz, J. Schröer, I. Barke, R. Schwartz, K. Watanabe, T. Taniguchi, S. Speller, T. Korn and S. Lochbrunner
Nanoscale Adv. 5(12), 3348-3356 (2023)
- Janus-type emission of a Cyclometalated Iron(III) complex
J. Steube, A. Kruse, O. S. Bokareva, T. Reuter, S. Demeshko, R. Schoch, M. A. Argüello Cordero, A. Krishna, S. Hohloch, F. Meyer, K. Heinze, O. Kühn, S. Lochbrunner and M. Bauer
Nature Chem. 15(4), 468-474 (2023)
- Formally Exact Simulations of Mesoscale Exciton Diffusion in a Light-Harvesting 2 Antenna Nanoarray
L. Varvelo, J. K. Lynd, B. Citty, O. Kühn and D. I. G. B. Raccah
J. Phys. Chem. Lett. 14(12), 3077-3083, (2023)
- Valley-magnetophonon resonance for interlayer excitons
D. S. Smirnov, J. Holler, M. Kempf, J. Zipfel, P. Nagler, M. V. Ballottin, A. A. Mitioglu, A. Chernikov, P. C. M. Christianen, C. Schüller and T. Korn
2D Materials 9, 045016 (2023)