Publications 2020 of the
Molecular Physics Department

2022 | 2021 | 2020 | 2019

Journal Article (56)

2020
Journal Article
Ali, H., R. Golnak, R. Seidel, B. Winter and J. Xiao: In-Situ X-ray Spectroscopy of the Electric Double Layer around TiO2 Nanoparticles Dispersed in Aqueous Solution: Implications for H2 Generation. ACS Applied Nano Materials 3 (1), 264–273 (2020).
Journal Article
Amin, K.S., X. Hu, D.R. Salahub, C. Baldauf, C. Lim and S. Noskov: Benchmarking polarizable and non-polarizable force fields for Ca2+–peptides against a comprehensive QM dataset. The Journal of Chemical Physics 153 (14), 144102 (2020).
Journal Article
Bagschik, K., M. Schneider, J. Wagner, R. Buss, M. Riepp, A. Philippi-Kobs, L. Müller, W. Rosecker, F. Trinter, M. Hoesch, J. Viefhaus, S. Eisebitt, G. Grübel, H.P. Oepen and R. Frömter: Enabling time-resolved 2D spatial-coherence measurements using the Fourier-analysis method with an integrated curved-grating beam monitor. Optics Letters 45 (19), 5591–5594 (2020).
Journal Article
Bagschik, K., J. Wagner, R. Buß, M. Riepp, A. Philippi-Kobs, L. Müller, J. Buck, F. Trinter, F. Scholz, J. Seltmann, M. Hoesch, J. Viefhaus, G. Grübel, H.P. Oepen and R. Frömter: Direct 2D spatial-coherence determination using the Fourier-analysis method: multi-parameter characterization of the P04 beamline at PETRA III. Optics Express 28 (5), 7282–7300 (2020).
Journal Article
Bielik, T. and B. Friedrich: Far Apart and Close Together: Fritz Haber and Chaim Weizmann. Israel Journal of Chemistry 60 (10-11), 1061–1076 (2020).
Journal Article
Buttersack, T., P.E. Mason, P. Jungwirth, H.C. Schewe, B. Winter, R. Seidel, R.S. McMullen and S.E. Bradforth.: Deeply cooled and temperature controlled microjets: Liquid ammonia solutions released into vacuum for analysis by photoelectron spectroscopy. Review of Scientific Instruments 91 (4), 043101 (2020).
Journal Article
Buttersack, T., P.E. Mason, R.S. McMullen, H.C. Schewe, T. Martinek, K. Brezina, M. Crhan, A. Gomez, D. Hein, G. Wartner, R. Seidel, H. Ali, S. Thürmer, O. Marsalek, B. Winter, S.E. Bradforth and P. Jungwirth: Photoelectron spectra of alkali metal–ammonia microjets: From blue electrolyte to bronze metal. Science 368 (6495), 1086–1091 (2020).
Journal Article
Chen, S.-G., W.-C. Jiang, S. Grundmann, F. Trinter, M.S. Schöffler, T. Jahnke, R. Dörner, H. Liang, M.-X. Wang, L.-Y. Peng and Q. Gong: Photon Momentum Transfer in Single-Photon Double Ionization of Helium. Physical Review Letters 124 (4), 043201 (2020).
Journal Article
D’Ambrosio, D., S. Borri, D. Calonico, C. Clivati, P.D. Natale, M. De Pas, G. Insero, F. Levi, M. Verde and G. Santambrogio: A QCL‐based metrological‐grade source at 6 μm. Applied Physics B 126 (3), 41 (2020).
Journal Article
Damjanovic, T., N. Vanhaecke, J. Cromiéres, H. Haak, G. Meijer, S. Willitsch and D. Zhang: A traveling wave Zeeman decelerator. Journal of Physics: Conference Series 1412 (12), 122014 (2020).
Journal Article
DeVine, J.A., S. Debnath, Y. Li, L.M. McCaslin, W. Schöllkopf, D.M. Neumark and K.R. Asmis: Infrared photodissociation spectroscopy of D2- tagged CH3CO2-(H2O)0-2 anions. Molecular Physics 118 (11), e1749953 (2020).
Journal Article
Eckart, S., K. Fehre, A. Geyer, J. Rist, K. Lin, F. Trinter, L.P.H. Schmidt, M.S. Schöffler, T. Jahnke, M. Kunitski and R. Dörner: Sideband modulation by subcycle interference. Physical Review A 102 (4), 043115 (2020).
Journal Article
Friedrich, B.: X-ray spectroscopy, the structure of the atom, the periodic system -- and the Czech physicist Vaclav Dolejsek (1895-1945). Vesmir 99 (1), 39–41 (2020).
Journal Article
Gozem, S., R. Seidel, U. Hergenhahn, E. Lugovoy, B. Abel, B. Winter, A.I. Krylov and S.E. Bradforth: Probing the Electronic Structure of Bulk Water at the Molecular Length Scale with Angle-Resolved Photoelectron Spectroscopy. The Journal of Physical Chemistry Letters 11 (13), 5162–5170 (2020).
Journal Article
Grabarics, M., M. Lettow, A.T. Kirk, G.von Helden, T.J. Causon and K. Pagel: Plate-height model of ion mobility-mass spectrometry. Analyst 145 (19), 6313–6333 (2020).
Journal Article
Green, A.E., S. Schaller, G. Meizyte, B.J. Rhodes, S.P. Kealy, A.S. Gentleman, W. Schöllkopf, A. Fielicke and S.R. Mackenzie: Infrared Study of OCS Binding and Size-Selective Reactivity with Gold Clusters, Aun+ (n = 1-10). The Journal of Physical Chemistry A 124 (26), 5389–5401 (2020).
Journal Article
Greis, K., C. Kirschbaum, S. Leichnitz, S. Gewinner, W. Schöllkopf, G.von Helden, G. Meijer, P.H. Seeberger and K. Pagel: Direct Experimental Characterization of the Ferrier Glycosyl Cation in the Gas Phase. Organic Letters 22 (22), 8916–8919 (2020).
Journal Article
Greis, K., E. Mucha, M. Lettow, D. Thomas, C. Kirschbaum, S. Moon, A. Pardo-Vargas, G.von Helden, G. Meijer, K. Gilmore, P.H. Seeberger and K. Pagel: The Impact of Leaving Group Anomericity on the Structure of Glycosyl Cations of Protected Galactosides. ChemPhysChem 21 (17), 1905–1907 (2020).
Journal Article
Grundmann, S., M. Kircher, I. Vela-Perez, G. Nalin, D. Trabert, N. Anders, N. Melzer, J. Rist, A. Pier, N. Strenger, J. Siebert, P.V. Demekhin, L.P.H. Schmidt, F. Trinter, M.S. Schöffler, T. Jahnke and R. Dörner: Observation of Photoion Backward Emission in Photoionization of He and N2. Physical Review Letters 124 (23), 233201 (2020).
Journal Article
Grundmann, S., V.V. Serov, F. Trinter, K. Fehre, N. Strenger, A. Pier, M. Kircher, D. Trabert, M. Weller, J. Rist, L. Kaiser, A.W. Bray, L.P.H. Schmidt, J.B. Williams, T. Jahnke, R. Dörner, M.S. Schöffler and A.S. Kheifets: Revealing the two-electron cusp in the ground states of He and H2 via quasifree double photoionization. Physical Review Research 2 (3), 033080 (2020).
Journal Article
Grundmann, S., D. Trabert, K. Fehre, N. Stenger, A. Pier, L. Kaiser, M. Kircher, M. Weller, S. Eckart, L.P.H. Schmidt, F. Trinter, T. Jahnke, M.S. Schöffler and R. Dörner: Zeptosecond birth time delay in molecular photoionization. Science 370 (6514), 339–341 (2020).
Journal Article
Hans, A., C. Küstner-Wetekam, P. Schmidt, C. Ozga, X. Holzapfel, H. Otto, C. Zindel, C. Richter, L.S. Cederbaum, A. Ehresmann, U. Hergenhahn, N.V. Kryzhevoi and A. Knie: Core-level interatomic Coulombic decay in van der Waals clusters. Physical Review Research 2 (1), 012022(R) (2020).
Journal Article
Henß, A.-K., J. Wiechers, R. Schuster, V. Platschkowski and J. Wintterlin: A beetle-type, variable temperature scanning tunneling microscope for video-rate imaging. Japanese Journal of Applied Physics 59, SN1007 (2020).
Journal Article
Hizler, H., E. Trimby, R.S. Lous, G.C. Groenenboom, R. Gerritsma and J.P. Rios: Controlling the nature of a charged impurity in a bath of Feshbach dimers. Physical Review Research 2 (3), 033232 (2020).
Journal Article
Horn-Stanja, J., E.V. Stenson, M.R. Stoneking, M. Singer, U. Hergenhahn, S. Nißl, H. Saitoh, T. Sunn Pedersen, M. Dickmann, C. Hugenschmidt and J.R. Danielson: Injection of intense low-energy reactor-based positron beams into a supported magnetic dipole trap. Plasma Research Express (PREX) 2 (1), 015006 (2020).
Journal Article
Jahnke, T., U. Hergenhahn, B. Winter, R. Dörner, U. Frühling, P.V. Demekhin, K. Gokhberg, L.S. Cederbaum, A. Ehresmann, A. Knie and A. Dreuw: Interatomic and Intermolecular Coulombic Decay. Chemical Reviews 120 (20), 11295–11369 (2020).
Journal Article
Jia, M., J. Vanbuel, P. Ferrari, W. Schöllkopf, A. Fielicke, M.T. Nguyen and E. Janssens: Hydrogen Adsorption and Dissociation on AlnRh2+ (n=1 to 9) Clusters: Steric and Coordination Effects. The Journal of Physical Chemistry C 124 (14), 7624–7633 (2020).
Journal Article
Kaiser, L., K. Fehre, N.M. Novikoskiy, J. Stindl, D. Tsitsonis, G. Gopakumar, I. Unger , J. Söderström, O. Björneholm, M. Schöffler, T. Jahnke, R. Dörner, F. Trinter and P.V. Demekhin: Angular emission distribution of O 1s photoelectrons of uniaxially oriented methanol. Journal of Physics B 53 (19), 194002 (2020).
Journal Article
Kale, S.K., Y. Ding, Y.P. Chen, B. Friedrich and S. Kais: Spin-momentum entanglement in a Bose–Einstein condensate. Physical Chemistry Chemical Physics 22 (44), 25669–25674 (2020).
Journal Article
Kastirke, G., M.S. Schöffler, M. Weller, J. Rist, R. Boll, N. Anders, T.M. Baumann, S. Eckart, B. Erk, A.D. Fanis, K. Fehre, A. Gatton, S. Grundmann, P. Grychtol, A. Hartung, M. Hofmann, M. Ilchen, C. Janke, M. Kircher, M. Kunitski, X. Li, T. Mazza, N. Melzer, J. Montano, V. Music, G. Nalin, Y. Ovcharenko, A. Pier, N. Rennhack, D.E. Rivas, R. Dörner, D. Rolles, A. Rudenko, P. Schmidt, J. Siebert, N. Strenger, D. Trabert, I. Vela-Perez, R. Wagner, T. Weber, J.B. Williams, P. Ziolkowski, L.P.H. Schmidt, A. Czasch, F. Trinter, M. Meyer, K. Ueda, P.V. Demekhin and T. Jahnke: Photoelectron Diffraction Imaging of a Molecular Breakup Using an X-Ray Free-Electron Laser. Physical Review X 10 (2), 021052 (2020).
Journal Article
Kastirke, G., M.S. Schöffler, M. Weller, J. Rist, R. Boll, N. Anders, T.M. Baumann, S. Eckart, B. Erk, A. De Fanis, K. Fehre, A. Gatton, S. Grundmann, P. Grychtol, A. Hartung, M. Hofmann, M. Ilchen, C. Janke, M. Kircher, M. Kunitski, X. Li, T. Mazza, N. Melzer, J. Montano, V. Music, G. Nalin, Y. Ovcharenko, A. Pier, N. Rennhack, D.E. Rivas, R. Dörner, D. Rolles, A. Rudenko, P. Schmidt, J. Siebert, N. Stenger, D. Trabert, I. Vela-Perez, R. Wagner, T. Weber, J.B. Williams, P. Ziolkowski, L.P.H. Schmidt, A. Czasch, K. Ueda, F. Trinter, M. Meyer, P.V. Demekhin and T. Jahnke: Double Core-Hole Generation in O2 Molecules Using an X-Ray Free-Electron Laser: Molecular-Frame Photoelectron Angular Distributions. Physical Review Letters 125 (16), 163201 (2020).
Journal Article
Kircher, M., F. Trinter, S. Grundmann, I. Vela-Perez, S. Brennecke, N. Eicke, J. Rist, S. Eckart, S. Houamer, O. Chuluunbaatar, Y.V. Popov, I.P. Volobuev, K. Bagschik, M.N. Piancastelli, M. Lein, T. Jahnke, M.S. Schöffler and R. Dörner: Kinematically complete experimental study of Compton scattering at helium atoms near the threshold. Nature Physics 16 (7), 756–760 (2020).
Journal Article
Kirschbaum, C., E.M. Saied, K. Greis, E. Mucha, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden, B.L.J. Poad, S.J. Blanksby, C. Arenz and K. Pagel: Resolving Sphingolipid Isomers Using Cryogenic Infrared Spectroscopy. Angewandte Chemie International Edition 59 (32), 13638–13642 (2020).
Journal Article
Lettow, M., M. Grabarics, K. Greis, E. Mucha, D. Thomas, P. Chopra, G.-J. Boons, R. Karlsson, J.E. Turnbull, G. Meijer, R.L. Miller, G.von Helden and K. Pagel: Cryogenic Infrared Spectroscopy Reveals Structural Modularity in the Vibrational Fingerprints of Heparan Sulfate Diastereomers. Analytical Chemistry 92 (15), 10228–10232 (2020).
Journal Article
Lettow, M., M. Grabarics, E. Mucha, D. Thomas, L. Polewski, J. Freyse, J. Rademann, G. Meijer, G.von Helden and K. Pagel: IR action spectroscopy of glycosaminoglycan oligosaccharides. Analytical and Bioanalytical Chemistry 412 (3), 533–537 (2020).
Journal Article
Liu, X., G. Meijer and J. Pérez-Ríos: A data-driven approach to determine dipole moments of diatomic molecules. Physical Chemistry Chemical Physics 22 (42), 24191–24200 (2020).
Journal Article
Liu, X., S. Truppe, G. Meijer and J. Pérez-Ríos: The diatomic molecular spectroscopy database. Journal of Cheminformatics 12, 31 (2020).
Journal Article
Liu, Y., Z. Wu, M. Naschitzki, S. Gewinner, W. Schöllkopf, X. Li, J. Paier, J. Sauer, H. Kuhlenbeck and H.-J. Freund: Elucidating Surface Structure with Action Spectroscopy. Journal of the American Chemical Society 142 (5), 2665–2671 (2020).
Journal Article
Marianski, M., E. Mucha, K. Greis, S.-Y. Moon, A. Pard, C. Kirschbaum, D. Thomas, G. Meijer, G.von Helden, K. Gilmore, P.H. Seeberger and K. Pagel: Remote Participation during Glycosylation Reactions of Galactose Building Blocks: Direct Evidence from Cryogenic Vibrational Spectroscopy. Angewandte Chemie International Edition 59 (15), 6166–6171 (2020).
Journal Article
Meijer, G. and B.G. Sartakov: Λ doubling in the B3Π1 state of TlF. Physical Review A 101 (4), 042506 (2020).
Journal Article
Meizyte, G., A.E. Green, A.S. Gentleman, S. Schaller, W. Schöllkopf, A. Fielicke and S.R. Mackenzie: Free electron laser infrared action spectroscopy of nitrous oxide binding to platinum clusters, Ptn(N2O)m+. Physical Chemistry Chemical Physics 22 (33), 18606–18613 (2020).
Journal Article
Mhamdi, A., J. Rist, D. Aslitürk, M. Weller, N. Melzer, D. Trabert, M. Kircher, I. Vela-Pérez, J. Siebert, S. Eckart, S. Grundmann, G. Kastirke, M. Waitz, A. Khan, M.S. Schöffler, F. Trinter, R. Dörner, T. Jahnke and P.V. Demekhin: Molecular-frame angular distributions of spectator resonant interatomic coulombic decay electrons in neon dimers. Journal of Physics: Conference Series 1412 (13), 132035 (2020).
Journal Article
Miller, R.L., S.E. Guimond, R. Schwörer, O.V. Zubkova, P.C. Tyler, Y. Xu, J. Liu, P. Chopra, G.-J. Boons, M. Grabarics, C. Manz, J. Hofmann, N.G. Karlsson, J.E. Turnbull, W.B. Struwe and K. Pagel: Shotgun ion mobility mass spectrometry sequencing of heparan sulfate saccharides. Nature Communications 11, 1481 (2020).
Journal Article
Mudryk, K.D., R. Siedel, B. Winter and I. Wilkinson: The electronic structure of the aqueous permanganate ion: aqueous-phase energetics and molecular bonding studied using liquid jet photoelectron spectroscopy. Physical Chemistry Chemical Physics 22 (36), 20311–20330 (2020).
Journal Article
Müller, F., J.B. Stückrath, F.A. Bischoff, L. Gagliardi, J. Sauer, S. Debnath, M. Jorewitz and K.R. Asmis: Valence and Structure Isomerism of Al2FeO4+: Synergy of Spectroscopy and Quantum Chemistry. Journal of the American Chemical Society 142 (42), 18050–18059 (2020).
Journal Article
Nißl, S., E.V. Stenson, U. Hergenhahn, J. Horn-Stanja, T.S. Pedersen, H. Saitoh, C. Hugenschmidt, M. Singer, M.R. Stoneking and J.R. Danielson: Positron orbit effects during injection and confinement in a magnetic dipole trap. Physics of Plasmas 27 (5), 052107 (2020).
Journal Article
Olaya, V., J. Pérez-Ríos and F. Herrera: C6 coefficients for interacting Rydberg atoms and alkali-metal dimers. Physical Review A 101 (3), 032705 (2020).
Journal Article
Pappas, C.G., P.K. Mandal, B. Liu, B. Kauffmann, X. Miao, D. Komáromy , W. Hoffmann, C. Manz, R. Chang, K. Liu, K. Pagel, I. Huc and S. Otto: Emergence of low-symmetry foldamers from single monomers. Nature Chemistry 12, 1180–1186 (2020).
Journal Article
Perry-Sassmannshausen, A., T. Buhr, A.J. Borovik, M. Martins, S. Reinwardt, S. Ricz, S.O. Stock, F. Trinter, A. Müller, S. Fritzsche and S. Schippers: Multiple Photodetachment of Carbon Anions via Single and Double Core-Hole Creation. Physical Review Letters 124 (8), 083203 (2020).
Journal Article
Pier, A., K. Fehre, S. Grundmann, I. Vela-Perez, N. Strenger, M. Kircher, D. Tsitsonis, J.B. Williams, A. Senftleben, T. Baumert, M.S. Schöffler, P.V. Demekhin, F. Trinter, T. Jahnke and R. Dörner: Chiral photoelectron angular distributions from ionization of achiral atomic and molecular species. Physical Review Research 2 (3), 033209 (2020).
Journal Article
Saak, C.-M., C. Richter, I. Unger, M. Mucke, C. Nicolas, U. Hergenhahn, C. Caleman, M. Huttula, M. Patanen and O. Björneholm: Proton dynamics in molecular solvent clusters as an indicator for hydrogen bond network strength in confined geometries. Physical Chemistry Chemical Physics 22 (6), 3264–3272 (2020).
Journal Article
Schottelius, A., F. Mambretti, A. Kalinin, B. Beyersdorff, A. Rothkirch, C. Goy, J. Müller, N. Petridis, M. Ritzer, F. Trinter, J.M. Fernández, T.A. Ezquerra, D.E. Galli and R.E. Grisenti: Crystal growth rates in supercooled atomic liquid mixtures. Nature Materials 19 (5), 512–516 (2020).
Journal Article
Thomas, D., R. Chang, E. Mucha, M. Lettow, K. Greis, S. Gewinner, W. Schöllkopf, G. Meijer and G.von Helden: Probing the conformational landscape and thermochemistry of DNA dinucleotide anions via helium nanodroplet infrared action spectroscopy. Physical Chemistry Chemical Physics 22 (33), 18400–18413 (2020).
Journal Article
Urner, L.H., I. Liko, H.-Y. Yen, K.-K. Hoi, J.R. Bolla, J. Gault, F.G. Almeida, M.-P. Schweder, D. Shutin, S. Ehrmann, R. Haag, C.V. Robinson and K. Pagel: Modular detergents tailor the purification and structural analysis of membrane proteins including G-protein coupled receptors. Nature Communications 11, 564 (2020).
Journal Article
Urner, L.H., M. Schulze, Y.B. Maier, W. Hoffmann, S. Warnke, I. Liko, K. Folmert, C. Manz, C.V. Robinson, R. Haaga and K. Pagel: A new azobenzene-based design strategy for detergents in membrane protein research. Chemical Science 11 (13), 3538–3546 (2020).
Journal Article
Warnecke, J., M. Mayer, M. Rohdenburg, X. Ma, J.K.Y. Liu, M. Grellmann, S. Debnath, V.A. Azov, E. Apra, R.P. Young, C. Jenne, G.E. Johnson, H.I. Kenttämaa, K.R. Asmis and J. Laskin: Direct functionalization of C−H bonds by electrophilic anions. Proceedings of the National Academy of Sciences of the United States of America, in press.

Book (1)

2020
Book
Pérez-Ríos, J.: An Introduction to Cold and Ultracold Chemistry: Atoms, Molecules, Ions and Rydbergs. Springer, Cham (2020).

Conference Paper (1)

2020
Conference Paper
Nalin, G., S. Grundmann, G. Kastirke, K. Fehre, D. Trabert, J. Rist, M. Weller, M. Waitz, J. Siebert, I. Vela-Perez, A. Khan, N. Anders, M. Kircher, R. Tomar, M. Hofman, F. Trinter, C. Küstner-Wetekam, L. Marder, J. Viehmann, H. Fukuzawa, K. Ueda, J.B. Willams, T. Jahnke, R. Dörner and M.S. Schöffler: Study of chiral asymmetries in the inner-shell photoionization of partially oriented trifluoro-methyloxirane. In: Journal of Physics: Conference Series. IOP Publishing, Bristol, 152097 (2020).

Thesis - PhD (4)

2020
Thesis - PhD
Ali, H.: Liquid-Jet Photoemission Studies of the Interface between Metal-Oxide Nanoparticles and Aqueous Solution. Freie Universität Berlin
Thesis - PhD
Debnath, S.: Gas-Phase Cryogenic Vibrational Spectroscopy of Metal Oxide Cluster Ions: Structure-Reactivity Relationship. Universität Leipzig
Thesis - PhD
Mucha, E.: Vibrational Spectroscopy of Glycans in Helium Nanodroplets. Radboud University Nijmegen
Thesis - PhD
Richter, C.: Investigation of Local and Non-Local Autoionization in Aqueous Systems. Freie Universität Berlin

Thesis - Master (1)

2020
Thesis - Master
Pugini, M.: Characterization of Human Islet Amyloid Peptide via IM-MS and Infrared Spectroscopy. Freie Universität Berlin
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