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2021-present
2021-present
2021-present
2021-present
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2023

2022

M. Traxler, S. Reischauer, S. Vogl, J. Roeser, J. Rabeah, C. Penschke, P. Saalfrank, B. Pieber, and A. Thomas: Programmable Photocatalytic Activity of Multivariate Covalent Organic Frameworks (COFs) used as Matallaphotocatalysts. Chem. Eur. J. e202202967 1-8 (2022)
J. Yang, S. Ghosh, A. Acharija, C. Penschke, Y. Tstsui, J. Rabeah, T. Wang, S.Y. Djoko, J. Roeser, M.-Y. Ye, J. Grüneberg, S. Li, C. Li., R. Schomäcker, R. Van De Krol, S. Seki, P. Saalfrank, and A. Thomas: Constitutional Isomerism of the Linkages in Donor-acceptor Covalent Organic Frameworks and Its Impact on Photocatalysis. Nature Commun. 13, 6317:1-10 (2022)
A. Choudhury, J. A. DeVine, S. Sinha, J. A. Lau, A. Kandratsenka, D. Schwarzer, P. Saalfrank, and A. M. Wodtke: Condensed Phase Isomerization Through Tunneling Gateways. Nature 612, 691-695 (2022)
A. Tetenoire, C. Ehlert, J. Iñaki Juaristi, P. Saalfrank, and M. Alducin: Why Ultrafast Photo-induced CO Desorption Dominates Over Oxidation on Ru(0001). (accepted at J. Phys. Chem. Lett.)
Y. Yue, G. Melani, H. Kirsch, Y. Shen, D. Ding, A. Paarmann, Y. Cui, P. Saalfrank, R. Kramer Campen, and Y. Tong: Structure and Reactivity of α-Al2O3(0001) Surfaces: How Do Al-I and Gibbsite-like Terminations Interconvert? J. Phys. Chem. C 126, 13467-13476 (2022)
E. W. Fischer and P. Saalfrank: Cavity-induced Non-Adiabatic Dynamics and Spectroscopy of Molecular Rovibrational Polaritons Studied by Multi-Mode Quantum Models. J. Chem. Phys. 157, 034305:1-13 (2022)
E. W. Fischer, M. Werther, F. Bouakline, F. Grossmann, and P. Saalfrank. Non-Markovian Vibrational Relaxation Dynamics at Surfaces. J. Chem. Phys. 156, 214702:1-16 (2022)
C. Penschke, A. Zehle, N. Jahn, R. Edler von Zander, R. Neumann, A. Beqiraj, and P. Saalfrank: Water on Porous, Nitrogen-containing Two-dimensional Carbon Materials: The Performance of Computational Model Chemistries. Phys. Chem. Chem. Phys. 24, 14709-14726 (2022), selected as “2022 PCCP HOT Article”
M. Reifarth, M. Bekir, A.M. Bapolisi, E. Titov, F. Nußhardt, J. Nowaczyk, D. Grigoriev, A. Sharma, P. Saalfrank, S. Santer, M. Hartlieb, and A. Böker: A Dual pH and Light-responsive Spiropyrane-based Surfactant: Investigations on its Switching Behavior and Remote Control over Emulsion Stability. Angew. Chem. Int. Ed. 61, e202114687 (2022).
Th. Mullan, L. Maschio, P. Saalfrank, and D. Usvyat: Reaction Barriers on Non-conducting Surfaces Beyond Periodic Local MP2: Diffusion of Hydrogen on α-Al2O3(0001) as a Test Case. J. Chem. Phys. 156, 074109:1-11 (2022), selected as “Editor’s Pick”.
R. Schürmann, E. Titov, K. Ebel, S. Kogikoski Jr., A. Mostafa, P. Saalfrank, A. Milasavijevic, and I. Bald: The Electronic Structure of the Metal-organic Interface of Isolated Ligand Coated Gold Nanoparticles. Nanoscale Adv. 4, 1599-1607 (2022)
D. Mayer, F. Lever, D. Picconi, J. Metje, S. Alisauskas, F. Calegari, S. Düsterer, C. Ehlert, R. Feifel, M. Niebuhr, B. Manschwetus, M. Kuhlmann, T. Mazza, M. S. Robinson, R. J. Squibb, A. Trabbatoni, M. Wallner, P. Saalfrank, T. J. A. Wolf, and M. Gühr: Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy. Nature Communications, 13: 198, 1-9 (2022)
E. W. Fischer, J. Anders, and P. Saalfrank: Cavity-altered Thermal Isomerization Rates and Dynamical Resonant Localization in Vibropolaritonic Chemistry, J. Chem. Phys., accepted, and arXiv:2109.13574
K. Kunze, J. Viljakka, E. Titov, Z. Ahmed, E. Kalenius, P. Saalfrank, and A. Priimagi: Towards low-energy-light-driven bistable photoswitches: ortho-fluoroaminobenzenes. Photochem. Photobiol. Sci. 21, 159-173 (2022)

2021