Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
4740 Publications
2021 | Journal Article | LibreCat-ID: 33643
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 C2N materials. Journal of Materials Chemistry A, 9(39), 22563–22572. https://doi.org/10.1039/d1ta05122a
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33645
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
| DOI
2021 | Journal Article | LibreCat-ID: 33644
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
| DOI
2021 | Journal Article | LibreCat-ID: 33649
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
| DOI
2021 | Journal Article | LibreCat-ID: 33648
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
| DOI
2021 | Journal Article | LibreCat-ID: 33655
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
| DOI
2021 | Journal Article | LibreCat-ID: 33658
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
| DOI
2021 | Journal Article | LibreCat-ID: 33651
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
| DOI
2021 | Journal Article | LibreCat-ID: 33657
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
| DOI
2021 | Conference Paper | LibreCat-ID: 33654
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
| DOI
2021 | Journal Article | LibreCat-ID: 33656
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
| DOI
2021 | Journal Article | LibreCat-ID: 33659
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
| DOI
2021 | Journal Article | LibreCat-ID: 33681
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
| DOI
2021 | Journal Article | LibreCat-ID: 33675
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
| DOI
2021 | Journal Article | LibreCat-ID: 23728 | 
Höpker, J. P., Verma, V. B., Protte, M., Ricken, R., Quiring, V., Eigner, C., Ebers, L., Hammer, M., Förstner, J., Silberhorn, C., Mirin, R. P., Woo Nam, S., & Bartley, T. (2021). Integrated superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides. Journal of Physics: Photonics, 3, 034022. https://doi.org/10.1088/2515-7647/ac105b
LibreCat
| Files available
| DOI
2021 | Journal Article | LibreCat-ID: 34087
Knust, S., Ruhm, L., Kuhlmann, A., Meinderink, D., Bürger, J., Lindner, J., de los Arcos de Pedro, M. T., & Grundmeier, G. (2021). In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma. Journal of Raman Spectroscopy, 52(7), 1237–1245. https://doi.org/10.1002/jrs.6123
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 35303
Drozdowska, A., Sinningen, K., Falkenstein, M., Rudolf, H., Libuda, L., Buyken, A., Lücke, T., & Kersting, M. (2021). Impact of lunch with carbohydrates differing in glycemic index on children’s cognitive functioning in the late postprandial phase: a randomized crossover study. European Journal of Nutrition, 61(3), 1637–1647. https://doi.org/10.1007/s00394-021-02766-y
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 35327
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
| DOI
2021 | Journal Article | LibreCat-ID: 35526
Kulgemeyer, C., Kempin, M., Weißbach, A., Borowski, A., Buschhüter, D., Enkrott, P., Reinhold, P., Riese, J., Schecker, H., Schröder, J., & Vogelsang, C. (2021). Exploring the impact of pre-service science teachers’ reflection skills on the development of professional knowledge during a field experience. International Journal of Science Education, 43(18), 3035–3057. https://doi.org/10.1080/09500693.2021.2006820
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 34054
Riedl, T., & Lindner, J. (2021). Automated SEM Image Analysis of the Sphere Diameter, Sphere-Sphere Separation, and Opening Size Distributions of Nanosphere Lithography Masks. Microscopy and Microanalysis, 28(1), 185–195. https://doi.org/10.1017/s1431927621013866
LibreCat
| DOI