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1252 Publications
2021 | Journal Article | LibreCat-ID: 33645
Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy
D. Ojha, T. Kühne, Scientific Reports 11 (2021).
LibreCat
| DOI
D. Ojha, T. Kühne, Scientific Reports 11 (2021).
2021 | Journal Article | LibreCat-ID: 33644
Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids
S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal of Physical Chemistry A 125 (2021) 867–874.
LibreCat
| DOI
S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal of Physical Chemistry A 125 (2021) 867–874.
2021 | Journal Article | LibreCat-ID: 33649
Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).
LibreCat
| DOI
J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).
2021 | Journal Article | LibreCat-ID: 33648
Artificial neural networks for the kinetic energy functional of non-interacting fermions
A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
LibreCat
| DOI
A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
2021 | Journal Article | LibreCat-ID: 33655
A combinatorial study of electrochemical anion intercalation into graphite
M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials Research Express 8 (2021).
LibreCat
| DOI
M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials Research Express 8 (2021).
2021 | Journal Article | LibreCat-ID: 33658
Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase
P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).
LibreCat
| DOI
P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).
2021 | Journal Article | LibreCat-ID: 33651
Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials
S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A. Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
LibreCat
| DOI
S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A. Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
2021 | Journal Article | LibreCat-ID: 33657
An automated approach for developing neural network interatomic potentials with FLAME
H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).
LibreCat
| DOI
H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).
2021 | Conference Paper | LibreCat-ID: 33654
Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields
V. Balos, H. Elgabarty, M. Wolf, T. Kühne, R. Netz, D.J. Bonthuis, N. Kaliannan, P. Loche, T. Kampfrath, M. Sajadi, in: M. Razeghi, A.N. Baranov (Eds.), Terahertz Emitters, Receivers, and Applications XII, SPIE, 2021.
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V. Balos, H. Elgabarty, M. Wolf, T. Kühne, R. Netz, D.J. Bonthuis, N. Kaliannan, P. Loche, T. Kampfrath, M. Sajadi, in: M. Razeghi, A.N. Baranov (Eds.), Terahertz Emitters, Receivers, and Applications XII, SPIE, 2021.
2021 | Journal Article | LibreCat-ID: 33656
A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states
M. Wang, A. Ranjbar, T. Kühne, R.V. Belosludov, Y. Kawazoe, Y. Liang, Carbon 181 (2021) 370–378.
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| DOI
M. Wang, A. Ranjbar, T. Kühne, R.V. Belosludov, Y. Kawazoe, Y. Liang, Carbon 181 (2021) 370–378.
2021 | Journal Article | LibreCat-ID: 33659
On topological materials as photocatalysts for water splitting by visible light
A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).
LibreCat
| DOI
A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).
2021 | Journal Article | LibreCat-ID: 33681
Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst
M.A.R. da Silva, I.F. Silva, Q. Xue, B.T.W. Lo, N.V. Tarakina, B.N. Nunes, P. Adler, S.K. Sahoo, D.W. Bahnemann, N. López-Salas, A. Savateev, C. Ribeiro, T. Kühne, M. Antonietti, I.F. Teixeira, Applied Catalysis B: Environmental 304 (2021).
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| DOI
M.A.R. da Silva, I.F. Silva, Q. Xue, B.T.W. Lo, N.V. Tarakina, B.N. Nunes, P. Adler, S.K. Sahoo, D.W. Bahnemann, N. López-Salas, A. Savateev, C. Ribeiro, T. Kühne, M. Antonietti, I.F. Teixeira, Applied Catalysis B: Environmental 304 (2021).
2021 | Journal Article | LibreCat-ID: 33675
Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum
L. Mai, D. Maniar, F. Zysk, J. Schöbel, T. Kühne, K. Loos, A. Devi, Dalton Transactions 51 (2021) 1384–1394.
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| DOI
L. Mai, D. Maniar, F. Zysk, J. Schöbel, T. Kühne, K. Loos, A. Devi, Dalton Transactions 51 (2021) 1384–1394.
2021 | Journal Article | LibreCat-ID: 35327
Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer
M. Wortmann, K. Viertel, A. Welle, W. Keil, N. Frese, W. Hachmann, P. Krieger, J. Brikmann, C. Schmidt, E. Moritzer, B. Hüsgen, International Journal of Heat and Mass Transfer 177 (2021).
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| DOI
M. Wortmann, K. Viertel, A. Welle, W. Keil, N. Frese, W. Hachmann, P. Krieger, J. Brikmann, C. Schmidt, E. Moritzer, B. Hüsgen, International Journal of Heat and Mass Transfer 177 (2021).
2021 | Journal Article | LibreCat-ID: 29189
Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien
T. Rogge, C. Vogelsang, P. Pollmeier, Seminar 4 (2021) 91–105.
LibreCat
| Download (ext.)
T. Rogge, C. Vogelsang, P. Pollmeier, Seminar 4 (2021) 91–105.
2021 | Book Chapter | LibreCat-ID: 27071
Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten
P. Pollmeier, S. Fechner, in: C. Caruso, C. Harteis, A. Gröschner (Eds.), Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, Springer Fachmedien, Wiesbaden, 2021.
LibreCat
| DOI
P. Pollmeier, S. Fechner, in: C. Caruso, C. Harteis, A. Gröschner (Eds.), Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, Springer Fachmedien, Wiesbaden, 2021.
2021 | Book Chapter | LibreCat-ID: 23733
Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht
P. Pollmeier, S. Fechner, in: M. Kubsch, S. Sorge, J. Arnold, N. Graulich (Eds.), Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, Waxmann, 2021, pp. 150–154.
LibreCat
| DOI
P. Pollmeier, S. Fechner, in: M. Kubsch, S. Sorge, J. Arnold, N. Graulich (Eds.), Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, Waxmann, 2021, pp. 150–154.
2021 | Journal Article | LibreCat-ID: 22538
Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films
M.T. de los Arcos de Pedro, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C. Weinberger, M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021).
LibreCat
| DOI
M.T. de los Arcos de Pedro, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C. Weinberger, M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021).
2021 | Journal Article | LibreCat-ID: 22539
Design of a TiAlON multilayer coating: Oxidation stability and deformation behavior
K. Bobzin, C. Kalscheuer, G. Grundmeier, M.T. de los Arcos de Pedro, S. Schwiderek, M. Carlet, Surface and Coatings Technology (2021).
LibreCat
| DOI
K. Bobzin, C. Kalscheuer, G. Grundmeier, M.T. de los Arcos de Pedro, S. Schwiderek, M. Carlet, Surface and Coatings Technology (2021).
2021 | Journal Article | LibreCat-ID: 22535
In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma
S. Knust, L. Ruhm, A. Kuhlmann, D. Meinderink, J. Bürger, J.K.N. Lindner, M.T. de los Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy (2021) 1237–1245.
LibreCat
| DOI
S. Knust, L. Ruhm, A. Kuhlmann, D. Meinderink, J. Bürger, J.K.N. Lindner, M.T. de los Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy (2021) 1237–1245.