2018

 

Publications

Mallus, M. I.; Shakya, Y.; Prajapati, J. D.; Kleinekathöfer, U. Environmental effects on the dynamics in the light-harvesting complexes LH2 and LH3 based on molecular simulations. Chem. Phys. 2018, 515, 141−151.

Alexander Steinhoff, Matthias Florian, Akshay Singh, Kha Tran, Mirco Kolarczik, Sophia Helmrich, Alexander W Achtstein, Ulrike Woggon, Nina Owschimikow, Frank Jahnke, Xiaoqin Li: Biexciton fine structure in monolayer transition metal dichalcogenides, Nature Physics 14 (12), 1199-1204 (2018)

P. Klement, C. Steinke, S. Chatterjee, T. Wehling, M. Eickhoff, 2D Mater. 5, 045025 (2018)

E. Kamil, J. Berges, G. Schönhoff, M. Rösner, M. Schüler, G. Sangiovanni, T. O. Wehling: Electronic structure of single layer 1T-NbSe₂: interplay of lattice distortions, non-local exchange, and Mott–Hubbard correlations, Journal of Physics: Condensed Matter 30, 325601 (2018), DOI: 10.1088/1361-648X/aad215

F. Lohof, R. Barzel, P. Gartner, C. Gies: Delayed Transition to Coherent Emission in Nanolasers with Extended Gain Media in Physical Review Applied 10, (2018), 054055

T. Petersen, J. Mitschker, T. Klüner: High-dimensional wave packet dynamics from first principles: Photodissociation of water on TiO2 -rutile (110) in Journal of Photochemistry and Photobiology A: Chemistry (2018), pp. 535-544, DOI: 10.1016/j.jphotochem.2018.01.037

T. Petersen, J. Mitschker, T. Klüner: Photochemical Water Splitting on Titania Surfaces: Atomistic Insight From First Principles in Module in Reference Module in Chemistry, Molecular Sciences and Chemical Engineering: Interfacial Chemistry - Surfaces and Electrochemistry Elsevier (2017), DOI: 10.1016/B978-0-12-409547-2.14189-7

T. Teusch, T. Klüner: Adsorption of SO² on the TiO_2 Rutile (110) Surface from First Principles in: F. Kongoli, F. Marquis, N. Chikhradze: Sustainable Industrial Processing Summit & Exhibition (SIPS): Marquis Intl. Symp. / New and Advanced Materials and Technologies, Vol. 5. Montreal (Canada): FLOGEN Star Outreach (2017), p. 189-195.

M. Florian, M. Hartmann, A. Steinhoff, J. Klein, A. Holleitner, J. J. Finley, T. O. Wehling, M. Kaniber, C. Gies: The dielectric impact of layer distances on exciton and trion binding energies in van der Waals heterostructures, Nano Lett. *18*, 2725 (2018), DOI: 10.1021/acs.nanolett.8b00840

D. Erben, A. Steinhoff, C.Gies, G.Schönhoff, T. Wehling, F. Jahnke: Excitation-induced transition to indirect band gaps in automatically thin transition-metal dichalcogenide semiconductors, Physical Review B98 (3), 035434

L. Yuan et al.: Photocarrier generation from interlayer charge-transfer transitions in WS2-graphene heterostructures, Science Advances, 2018, volume 4, e1700324, DOI: 10.1126/sciadv.1700324 

M. Laurien, B. Demir, H. Büttemeyer, A. Herrmann, T. Walsh, L. Colombi Ciacchi: Atomistic modelling of the formation of a thermoset/thermoplastic interphase during co-curing, Macromolecules, DOI: 10.1021/acs.macromol.8b00736 (2018)

S. Lid, D. Carmona, M. Maas, L. Treccani, L. Colombi Ciacchi: Anchoring of iron oxyhydroxide clusters at H and L ferritin subunits, ACS Biomaterials Science & Engineering 4, 483-490 (2018)