Publications | Dept. Kremer

Samy, M. M.; Mekhemer, I. M. A.; Mohamed, M. G.; Elsayed, M. H.; Lin, K.-H.; Chen, Y.-K.; Wu, T.-L.; Chou, H.-H.; Kuo, S.-W.: Conjugated microporous polymers incorporating Thiazolo[5,4-d]thiazole moieties for Sunlight-Driven hydrogen production from water. Chemical Engineering Journal 443 (Part 3), 137158 (2022)

Kapaev, R. R.; Zhugayevych, A.; Ryazantsev, S. V.; Aksyonov, D. A.; Novichkov, D.; Matveev, P. I.; Stevenson, K. J.: Charge storage mechanisms of a ᴨ–d conjugated polymer for advanced alkali-ion battery anodes. Chemical Science 13 (27), pp. 8161 - 8170 (2022)

Liu, J.; De Bastiani, M.; Aydin, E.; Harrison, G. T.; Gao, Y.; Pradhan, R. R.; Eswaran, M. K.; Mandal, M.; Yan, W.; Seitkhan, A. et al.; Babics, M.; Subbiah, A. S.; Ugur, E.; Xu, F.; Xu, L.; Wang, M.; Rehman, A. u.; Razzaq, A.; Kang, J.; Azmi, R.; Said, A. A.; Isikgor, F. H.; Allen, T. G.; Andrienko, D.; Schwingenschlögl, U.; Laquai, F.; De Wolf, S.: Efficient and stable perovskite-silicon tandem solar cells through contact displacement by MgF_x. Science 377 (6603), pp. 302 - 306 (2022)

Yuce, H.; Mandal, M.; Yalcinkaya, Y.; Andrienko, D.; Demir, M. M.: Improvement of Photophysical Properties of CsPbBr3 and Mn2+:CsPb(Br,Cl)(3) Perovskite Nanocrystals by Sr2+ Doping for White Light-Emitting Diodes. Journal of Physical Chemistry C 126 (27), pp. 11277 - 11284 (2022)

Pampel, B.; Valsson, O.: Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials. Journal of Chemical Theory and Computation 18 (7), pp. 4127 - 4141 (2022)

Naujoks, T.; Jayabalan, R.; Kirsch, C.; Zu, F.; Mandal, M.; Wahl, J.; Waibel, M.; Opitz, A.; Koch, N.; Andrienko, D. et al.; Scheele, M.; Brütting, W.: Quantum Efficiency Enhancement of Lead-Halide Perovskite Nanocrystal LEDs by Organic Lithium Salt Treatment. ACS Applied Materials and Interfaces 14 (25), pp. 28985 - 28996 (2022)

Scheffler, M.; Aeschlimann, M.; Albrecht, M.; Bereau, T.; Bungartz, H.-J.; Felser, C.; Greiner, M.; Groß, A.; Koch, C. T.; Kremer, K. et al.; Nagel, W. E.; Scheidgen, M.; Wöll, C.; Draxl, C.: FAIR data enabling new horizons for materials research. Nature 604 (7907), pp. 635 - 642 (2022)

Ghebremedhin, M.; Bächle, M.; Vilgis, T. A.: Meat-, vegetarian-, and vegan sausages: Comparison of mechanics, friction, and structure. Physics of Fluids 34 (4), 047112 (2022)

Kumar, P.; Mahato, D. K.; Gupta, A.; Pandhi, S.; Mishra, S.; Barua, S.; Tyagi, V.; Kumar, A.; Kumar, M.; Kamle, M.: Use of essential oils and phytochemicals against the mycotoxins producing fungi for shelf-life enhancement and food preservation. International journal of food science & technology 57 (4), pp. 2171 - 2184 (2022)

Ma, S.; Liu, W.; Köhn, A.: Adsorption Geometries and Electronic Properties of a Dipolar Phosphonate-Based Monolayer on the NiO Surface. The Journal of Physical Chemistry C 126 (12), pp. 5793 - 5804 (2022)

Wood, E. L.; Greco, C.; Ivanov, D. A.; Kremer, K.; Daoulas, K. C.: Mesoscopic Modeling of a Highly-Ordered Sanidic Polymer Mesophase and Comparison With Experimental Data. The Journal of Physical Chemistry B 126 (11), pp. 2285 - 2298 (2022)

Vishwakarma, S.; Panigrahi, C.; Barua, S.; Sahoo, M.; Mandliya, S.: Food nutrients as inherent sources of immunomodulation during COVID-19 pandemic. LWT - Food Science and Technology 158, 113154 (2022)

Banerjee, A.; Sevilla, M.; Rudzinski, J. F.; Cortes Huerto, R.: Finite-size scaling and thermodynamics of model supercooled liquids: long-range concentration fluctuations and the role of attractive interactions. Soft Matter 18 (12), pp. 2373 - 2382 (2022)

Mohr, B.; Shmilovich, K.; Kleinwächter, I. S.; Schneider, D.; Ferguson, A. L.; Bereau, T.: Data-driven discovery of cardiolipin-selective small molecules by computational active learning. Chemical Science 13, pp. 4498 - 4511 (2022)

Brand, H. R.; Pleiner, H.: A Two-Fluid Model for the Macroscopic Behavior of Nematic Fluids and Gels in a Chiral Solvent. Brazilian Journal of Physics 52 (3), 70 (2022)

Brand, H. R.; Pleiner, H.: A two-fluid model for the macroscopic behavior of polar nematic fluids and gels in a nonchiral or a chiral solvent. European Physical Journal E 45 (2), 17 (2022)

Yu, X.; Fu, S.; Mandal, M.; Yao, X.; Liu, Z.; Zheng, W.; Samori, P.; Narita, A.; Müllen, K.; Andrienko, D. et al.; Bonn, M.; Wang, H. I.: Tuning interfacial charge transfer in atomically precise nanographene-graphene heterostructures by engineering van der Waals interactions. The Journal of Chemical Physics 156 (7), 074702 (2022)

Lapkin, D.; Kirsch, C.; Hiller, J.; Andrienko, D.; Assalauova, D.; Braun, K.; Carnis, J.; Kim, Y. Y.; Mandal, M.; Maier, A. et al.; Meixner, A. J.; Mukharamova, N.; Scheele, M.; Schreiber, F.; Sprung, M.; Wahl, J.; Westendorf, S.; Zaluzhnyy, I. A.; Vartanyants, I. A.: Spatially resolved fluorescence of caesium lead halide perovskite supercrystals reveals quasi-atomic behavior of nanocrystals. Nature Communications 13 (1), 892 (2022)

Chakraborty, S.; Berac, C. M.; Urschbach, M.; Spitzer, D.; Mezger, M.; Besenius, P.; Speck, T.: Predicting the Supramolecular Assembly of Amphiphilic Peptides from Comprehensive Coarse-Grained Simulations. ACS Applied Polymer Materials 4 (2), pp. 822 - 831 (2022)

Chubak, I.; Pachong, S. M.; Kremer, K.; Likos, C. N.; Smrek, J.: Active Topological Glass Confined within a Spherical Cavity. Macromolecules 55 (3), pp. 956 - 964 (2022)