Ranjbar, A., Mirhosseini, H., &; Kühne, T. D. (2021). On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials, 5(1), Article 015001.https://doi.org/10.1088/2515-7639/ac363d 
LibreCat: /record/33587
DOI: 10.1088/2515-7639/ac363d

Heske, J. J., Walczak, R., Epping, J. D., Youk, S., Sahoo, S. K., Antonietti, M., Kühne, T., &; Oschatz, M. (2021). When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials. Journal of Materials Chemistry A, 9(39), 22563–22572.https://doi.org/10.1039/d1ta05122a 
LibreCat: /record/33643
DOI: 10.1039/d1ta05122a

Ojha, D., &; Kühne, T. (2021). Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy. Scientific Reports, 11(1), Article 2456.https://doi.org/10.1038/s41598-021-81635-4 
LibreCat: /record/33645
DOI: 10.1038/s41598-021-81635-4

Pylaeva, S., Marx, P., Singh, G., Kühne, T., Roemelt, M., &; Elgabarty, H. (2021). Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. The Journal of Physical Chemistry A, 125(3), 867–874.https://doi.org/10.1021/acs.jpca.0c11296 
LibreCat: /record/33644
DOI: 10.1021/acs.jpca.0c11296

Kessler, J., Calcavecchia, F., &; Kühne, T. (2021). Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo. Advanced Theory and Simulations, 4(4), Article 2000269.https://doi.org/10.1002/adts.202000269 
LibreCat: /record/33649
DOI: 10.1002/adts.202000269

Ghasemi, A., &; Kühne, T. (2021). Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics, 154(7), Article 074107.https://doi.org/10.1063/5.0037319 
LibreCat: /record/33648
DOI: 10.1063/5.0037319

Chugh, M., Jain, M., Wang, G., Nia, A. S., Mirhosseini, H., &; Kühne, T. (2021). A combinatorial study of electrochemical anion intercalation into graphite. Materials Research Express, 8(8), Article 085502.https://doi.org/10.1088/2053-1591/ac1965 
LibreCat: /record/33655
DOI: 10.1088/2053-1591/ac1965

Partovi-Azar, P., &; Kühne, T. (2021). Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase. Micromachines, 12(10), Article 1212.https://doi.org/10.3390/mi12101212 
LibreCat: /record/33658
DOI: 10.3390/mi12101212

Sahoo, S. K., Teixeira, I. F., Naik, A., Heske, J. J., Cruz, D., Antonietti, M., Savateev, A., &; Kühne, T. (2021). Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials. The Journal of Physical Chemistry C, 125(25), 13749–13758.https://doi.org/10.1021/acs.jpcc.1c03947 
LibreCat: /record/33651
DOI: 10.1021/acs.jpcc.1c03947

Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., &; Kühne, T. (2021). An automated approach for developing neural network interatomic potentials with FLAME. Computational Materials Science, 197, Article 110567.https://doi.org/10.1016/j.commatsci.2021.110567 
LibreCat: /record/33657
DOI: 10.1016/j.commatsci.2021.110567

Balos, V., Elgabarty, H., Wolf, M., Kühne, T., Netz, R., Bonthuis, D. J., Kaliannan, N., Loche, P., Kampfrath, T., &; Sajadi, M. (2021). Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields. In M. Razeghi &; A. N. Baranov (Eds.), Terahertz Emitters, Receivers, and Applications XII. SPIE.https://doi.org/10.1117/12.2594143 
LibreCat: /record/33654
DOI: 10.1117/12.2594143

Wang, M., Ranjbar, A., Kühne, T., Belosludov, R. V., Kawazoe, Y., &; Liang, Y. (2021). A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states. Carbon, 181, 370–378.https://doi.org/10.1016/j.carbon.2021.05.026 
LibreCat: /record/33656
DOI: 10.1016/j.carbon.2021.05.026

Ranjbar, A., Mirhosseini, H., &; Kühne, T. (2021). On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials, 5(1), Article 015001.https://doi.org/10.1088/2515-7639/ac363d 
LibreCat: /record/33659
DOI: 10.1088/2515-7639/ac363d

da Silva, M. A. R., Silva, I. F., Xue, Q., Lo, B. T. W., Tarakina, N. V., Nunes, B. N., Adler, P., Sahoo, S. K., Bahnemann, D. W., López-Salas, N., Savateev, A., Ribeiro, C., Kühne, T., Antonietti, M., &; Teixeira, I. F. (2021). Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst. Applied Catalysis B: Environmental, 304, Article 120965.https://doi.org/10.1016/j.apcatb.2021.120965 
LibreCat: /record/33681
DOI: 10.1016/j.apcatb.2021.120965

Mai, L., Maniar, D., Zysk, F., Schöbel, J., Kühne, T., Loos, K., &; Devi, A. (2021). Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum. Dalton Transactions, 51(4), 1384–1394.https://doi.org/10.1039/d1dt03753f 
LibreCat: /record/33675
DOI: 10.1039/d1dt03753f

Wortmann, M., Viertel, K., Welle, A., Keil, W., Frese, N., Hachmann, W., Krieger, P., Brikmann, J., Schmidt, C., Moritzer, E., &; Hüsgen, B. (2021). Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer. International Journal of Heat and Mass Transfer, 177, Article 121536.https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536 
LibreCat: /record/35327
DOI: 10.1016/j.ijheatmasstransfer.2021.121536

Rogge, T., Vogelsang, C., &; Pollmeier, P. (2021). Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien. Seminar, 4, 91–105.
LibreCat: /record/29189

Pollmeier, P., &; Fechner, S. (2021). Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten. In C. Caruso, C. Harteis, &; A. Gröschner (Eds.), Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken. Springer Fachmedien.https://doi.org/10.1007/978-3-658-32568-8_16 
LibreCat: /record/27071
DOI: 10.1007/978-3-658-32568-8_16

Pollmeier, P., &; Fechner, S. (2021). Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht. In M. Kubsch, S. Sorge, J. Arnold, &; N. Graulich (Eds.), Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken (pp. 150–154). Waxmann.https://doi.org/10.31244/9783830993490 
LibreCat: /record/23733
DOI: 10.31244/9783830993490

de los Arcos de Pedro, M. T., Müller, H., Wang, F., Damerla, V. R., Hoppe, C., Weinberger, C., Tiemann, M., &; Grundmeier, G. (2021). Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films. Vibrational Spectroscopy, Article 103256.https://doi.org/10.1016/j.vibspec.2021.103256 
LibreCat: /record/22538
DOI: 10.1016/j.vibspec.2021.103256