@articleRanjbar_Mirhosseini_Kühne_2021, title=On topological materials as photocatalysts for water splitting by visible light, volume=5, DOI=10.1088/2515-7639/ac363d, number=1015001, journal=Journal of Physics: Materials, publisher=IOP Publishing, author=Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D, year=2021 
LibreCat: /record/33587
DOI: 10.1088/2515-7639/ac363d

@articleHeske_Walczak_Epping_Youk_Sahoo_Antonietti_Kühne_Oschatz_2021, title=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, volume=9, DOI=10.1039/d1ta05122a, number=39, journal=Journal of Materials Chemistry A, publisher=Royal Society of Chemistry (RSC), author=Heske, Julian Joachim and Walczak, Ralf and Epping, Jan D. and Youk, Sol and Sahoo, Sudhir K. and Antonietti, Markus and Kühne, Thomas and Oschatz, Martin, year=2021, pages=22563–22572 
LibreCat: /record/33643
DOI: 10.1039/d1ta05122a

@articleOjha_Kühne_2021, title=Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy, volume=11, DOI=10.1038/s41598-021-81635-4, number=12456, journal=Scientific Reports, publisher=Springer Science and Business Media LLC, author=Ojha, Deepak and Kühne, Thomas, year=2021 
LibreCat: /record/33645
DOI: 10.1038/s41598-021-81635-4

@articlePylaeva_Marx_Singh_Kühne_Roemelt_Elgabarty_2021, title=Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids, volume=125, DOI=10.1021/acs.jpca.0c11296, number=3, journal=The Journal of Physical Chemistry A, publisher=American Chemical Society (ACS), author=Pylaeva, Svetlana and Marx, Patrick and Singh, Gurjot and Kühne, Thomas and Roemelt, Michael and Elgabarty, Hossam, year=2021, pages=867–874 
LibreCat: /record/33644
DOI: 10.1021/acs.jpca.0c11296

@articleKessler_Calcavecchia_Kühne_2021, title=Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo, volume=4, DOI=10.1002/adts.202000269, number=42000269, journal=Advanced Theory and Simulations, publisher=Wiley, author=Kessler, Jan and Calcavecchia, Francesco and Kühne, Thomas, year=2021 
LibreCat: /record/33649
DOI: 10.1002/adts.202000269

@articleGhasemi_Kühne_2021, title=Artificial neural networks for the kinetic energy functional of non-interacting fermions, volume=154, DOI=10.1063/5.0037319, number=7074107, journal=The Journal of Chemical Physics, publisher=AIP Publishing, author=Ghasemi, Alireza and Kühne, Thomas, year=2021 
LibreCat: /record/33648
DOI: 10.1063/5.0037319

@articleChugh_Jain_Wang_Nia_Mirhosseini_Kühne_2021, title=A combinatorial study of electrochemical anion intercalation into graphite, volume=8, DOI=10.1088/2053-1591/ac1965, number=8085502, journal=Materials Research Express, publisher=IOP Publishing, author=Chugh, Manjusha and Jain, Mitisha and Wang, Gang and Nia, Ali Shaygan and Mirhosseini, Hossein and Kühne, Thomas, year=2021 
LibreCat: /record/33655
DOI: 10.1088/2053-1591/ac1965

@articlePartovi-Azar_Kühne_2021, title=Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase, volume=12, DOI=10.3390/mi12101212, number=101212, journal=Micromachines, publisher=MDPI AG, author=Partovi-Azar, Pouya and Kühne, Thomas, year=2021 
LibreCat: /record/33658
DOI: 10.3390/mi12101212

@articleSahoo_Teixeira_Naik_Heske_Cruz_Antonietti_Savateev_Kühne_2021, title=Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials, volume=125, DOI=10.1021/acs.jpcc.1c03947, number=25, journal=The Journal of Physical Chemistry C, publisher=American Chemical Society (ACS), author=Sahoo, Sudhir K. and Teixeira, Ivo F. and Naik, Aakash and Heske, Julian Joachim and Cruz, Daniel and Antonietti, Markus and Savateev, Aleksandr and Kühne, Thomas, year=2021, pages=13749–13758 
LibreCat: /record/33651
DOI: 10.1021/acs.jpcc.1c03947

@articleMirhosseini_Tahmasbi_Kuchana_Ghasemi_Kühne_2021, title=An automated approach for developing neural network interatomic potentials with FLAME, volume=197, DOI=10.1016/j.commatsci.2021.110567, number=110567, journal=Computational Materials Science, publisher=Elsevier BV, author=Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and Ghasemi, Alireza and Kühne, Thomas, year=2021 
LibreCat: /record/33657
DOI: 10.1016/j.commatsci.2021.110567

@inproceedingsBalos_Elgabarty_Wolf_Kühne_Netz_Bonthuis_Kaliannan_Loche_Kampfrath_Sajadi_2021, title=Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields, DOI=10.1117/12.2594143, booktitle=Terahertz Emitters, Receivers, and Applications XII, publisher=SPIE, author=Balos, Vasileios and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas and Netz, Roland and Bonthuis, Douwe Jan and Kaliannan, Naveen and Loche, Philip and Kampfrath, Tobias and Sajadi, Mohsen, editor=Razeghi, Manijeh and Baranov, Alexei N., year=2021 
LibreCat: /record/33654
DOI: 10.1117/12.2594143

@articleWang_Ranjbar_Kühne_Belosludov_Kawazoe_Liang_2021, title=A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states, volume=181, DOI=10.1016/j.carbon.2021.05.026, journal=Carbon, publisher=Elsevier BV, author=Wang, Mengying and Ranjbar, Ahmad and Kühne, Thomas and Belosludov, Rodion V. and Kawazoe, Yoshiyuki and Liang, Yunye, year=2021, pages=370–378 
LibreCat: /record/33656
DOI: 10.1016/j.carbon.2021.05.026

@articleRanjbar_Mirhosseini_Kühne_2021, title=On topological materials as photocatalysts for water splitting by visible light, volume=5, DOI=10.1088/2515-7639/ac363d, number=1015001, journal=Journal of Physics: Materials, publisher=IOP Publishing, author=Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas, year=2021 
LibreCat: /record/33659
DOI: 10.1088/2515-7639/ac363d

@articleda Silva_Silva_Xue_Lo_Tarakina_Nunes_Adler_Sahoo_Bahnemann_López-Salas_et al._2021, title=Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst, volume=304, DOI=10.1016/j.apcatb.2021.120965, number=120965, journal=Applied Catalysis B: Environmental, publisher=Elsevier BV, author=da Silva, Marcos A.R. and Silva, Ingrid F. and Xue, Qi and Lo, Benedict T.W. and Tarakina, Nadezda V. and Nunes, Barbara N. and Adler, Peter and Sahoo, Sudhir K. and Bahnemann, Detlef W. and López-Salas, Nieves and et al., year=2021 
LibreCat: /record/33681
DOI: 10.1016/j.apcatb.2021.120965

@articleMai_Maniar_Zysk_Schöbel_Kühne_Loos_Devi_2021, title=Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum, volume=51, DOI=10.1039/d1dt03753f, number=4, journal=Dalton Transactions, publisher=Royal Society of Chemistry (RSC), author=Mai, Lukas and Maniar, Dina and Zysk, Frederik and Schöbel, Judith and Kühne, Thomas and Loos, Katja and Devi, Anjana, year=2021, pages=1384–1394 
LibreCat: /record/33675
DOI: 10.1039/d1dt03753f

@articleWortmann_Viertel_Welle_Keil_Frese_Hachmann_Krieger_Brikmann_Schmidt_Moritzer_et al._2021, title=Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer, volume=177, DOI=10.1016/j.ijheatmasstransfer.2021.121536, number=121536, journal=International Journal of Heat and Mass Transfer, publisher=Elsevier BV, author=Wortmann, Martin and Viertel, Klaus and Welle, Alexander and Keil, Waldemar and Frese, Natalie and Hachmann, Wiebke and Krieger, Philipp and Brikmann, Johannes and Schmidt, Claudia and Moritzer, Elmar and et al., year=2021 
LibreCat: /record/35327
DOI: 10.1016/j.ijheatmasstransfer.2021.121536

@articleRogge_Vogelsang_Pollmeier_2021, title=Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien, volume=4, journal=Seminar, author=Rogge, Tim and Vogelsang, Christoph and Pollmeier, Pascal, year=2021, pages=91–105 
LibreCat: /record/29189

@inbookPollmeier_Fechner_2021, place=Wiesbaden, title=Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten, DOI=10.1007/978-3-658-32568-8_16, booktitle=Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, publisher=Springer Fachmedien, author=Pollmeier, Pascal and Fechner, Sabine, editor=Caruso, Carina and Harteis, Christian10.1007/978-3-658-32568-8_16__and Gröschner, Alexander, year=2021 
LibreCat: /record/27071
DOI: 10.1007/978-3-658-32568-8_16

@inbookPollmeier_Fechner_2021, title=Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht, DOI=10.31244/9783830993490, booktitle=Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, publisher=Waxmann, author=Pollmeier, Pascal and Fechner, Sabine, editor=Kubsch, Marcus and Sorge, Stefan and Arnold, Julia and Graulich, Nicole, year=2021, pages=150–154 
LibreCat: /record/23733
DOI: 10.31244/9783830993490

@articlede los Arcos de Pedro_Müller_Wang_Damerla_Hoppe_Weinberger_Tiemann_Grundmeier_2021, title=Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films, DOI=10.1016/j.vibspec.2021.103256, number=103256, journal=Vibrational Spectroscopy, author=de los Arcos de Pedro, Maria Teresa and Müller, Hendrik and Wang, Fuzeng and Damerla, Varun Raj and Hoppe, Christian and Weinberger, Christian and Tiemann, Michael and Grundmeier, Guido, year=2021 
LibreCat: /record/22538
DOI: 10.1016/j.vibspec.2021.103256