Forthcoming Events

26.10.2020 - 28.10.2020, Paul Scherrer Institut (PSI), Villigen,Switzerland

Research publications 2019 A - L

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Akbarimoosavi, M., Rohwer, E., Rondi, A., Hankache, J., Geng, Y., Decurtins, S., Hauser, A., Liu, S.X., Feurer, T., and Cannizzo, A. (2019). Tunable Lifetimes of Intramolecular Charge-Separated States in Molecular Donor-Acceptor Dyads. J Phys Chem C 123, 8500-8511 (10.1021/acs.jpcc.8b11066)

Alanazi, A.Q., Kubicki, D.J., Prochowicz, D., Alharbi, E.A., Bouduban, M.E.F., Jahanbakhshi, F., Mladenovic, M., Milic, J.V., Giordano, F., Ren, D., Alyamani, A.Y., Albrithen, H., Albadri, A., Alotaibi, M.H., Moser, J.E., Zakeeruddin, S.M., Röthlisberger, U., Emsley, L., and Grätzel, M. (2019). Atomic-Level Microstructure of Efficient Formamidinium-Based Perovskite Solar Cells Stabilized by 5-Ammonium Valeric Acid Iodide Revealed by Multinuclear and Two-Dimensional Solid-State NMR. J Am Chem Soc 141, 17659-17669 (10.1021/jacs.9b07381)

Alharbi, E.A., Alyamani, A.Y., Kubicki, D.J., Uhl, A.R., Walder, B.J., Alanazi, A.Q., Luo, J.S., Burgos-Caminal, A., Albadri, A., Albrithen, H., Alotaibi, M.H., Moser, J.E., Zakeeruddin, S.M., Giordano, F., Emsley, L., and Grätzel, M. (2019). Atomic-level passivation mechanism of ammonium salts enabling highly efficient perovskite solar cells. Nature Commun 10, 3008 (s41467-019-10985-5)

Ashari-Astani, N., Jahanbakhshi, F., Mladenovic, M., Alanazi, A.Q.M., Ahmadabadi, I., Ejtehadi, M.R., Dar, M.I., Grätzel, M., and Röthlisberger, U. (2019). Ruddlesden Popper Phases of Methylammonium-Based Two-Dimensional Perovskites with 5-Ammonium Valeric Acid AVA(2)MA(n-1)Pb(n)I(3n+1) with n=1, 2, and 3. J Phys Chem Lett 10, 3543-3549 (10.1021/acs.jpclett.9b01111)

Bahng, H.-W. (2019). Photoinduced Charge Transfer Dynamics in Blue-Coloured Diketopyrrolopyrrole (DPP) Dye-Sensitized Solar Cells (Lausanne: EPFL - Moser, J.E.).

Baldini, E., Dominguez, A., Palmieri, T., Cannelli, O., Rubio, A., Ruello, P., and Chergui, M. (2019). Exciton control in a room temperature bulk semiconductor with coherent strain pulses. Sci Adv 5, eaax2937. (10.1126/sciadv.aax2937)

Barnes, J.V., Yoder, B.L., and Signorell, R. (2019). Magic Numbers for the Photoelectron Anisotropy in Li-Doped Dimethyl Ether Clusters. J Phys Chem A. 123, 2379–2386 (10.1021/acs.jpca.8b12262)

Baykusheva, D., Zindel, D., Svoboda, V., Bommeli, E., Ochsner, M., Tehlar, A., and Wörner, H.J. (2019). Real-time probing of chirality during a chemical reaction. Proc Natl Acad Sci USA 116, 23923-23929 ( 10.1073/pnas.1907189116)

Berger, A., Ciardi, G., Sidler, D., Hamm, P., and Shalit, A. (2019). Impact of nuclear quantum effects on the structural inhomogeneity of liquid water. Proc Natl Acad Sci USA, ()

Bircher, M.P., López-Tarifa, P., and Röthlisberger, U. (2019). Shedding Light on the Basis Set Dependence of the Minnesota Functionals: Differences Between Plane Waves, Slater Functions, and Gaussians. J Chem Theory Comput15, 557-571. (10.1021/acs.jctc.8b00897)

Bohinc, R., Pamfilidis, G., Rehault, J., Radi, P., Milne, C., Szlachetko, J., Bencivenga, F., Capotondi, F., Cucini, R., Foglia, L., Masciovecchio, C., Mincigrucci, R., Pedersoli, E., Simoncig, A., Mahne, N., Cannizzo, A., Frey, H.M., Ollmann, Z., Feurer, T., Maznev, A.A., Nelson, K., and Knopp, G. (2019). Nonlinear XUV-optical transient grating spectroscopy at the Si L-2,L-3-edge. Appl Phys Lett 114, 181101 (10.1063/1.5085413)

Bolnykh, V., Olsen, J.M.H., Meloni, S., Bircher, M.P., Ippoliti, E., Carloni, P., and Röthlisberger, U. (2019). Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC. J Chem Theory Comput 15, 5601-5613 (10.1021/acs.jctc.9b00424)

Bösch, C.D., Abay, E., Langenegger, S.M., Nazari, M., Cannizzo, A., Feurer, T., and Häner, R. (2019). DNA-Organized Light-Harvesting Antennae: Energy Transfer in Polyaromatic Stacks Proceeds through Interposed Nucleobase Pairs. Helv Chim Acta 102, e1900148 (10.1002/hlca.201900148)

Bouduban, M.E.F., Queloz, V.I.E., Caselli, V.M., Cho, K.T., Kirmani, A.R., Paek, S., Roldan-Carmona, C., Richter, L.J., Moser, J.E., Savenije, T.J., Nazeeruddin, M.K., and Grancini, G. (2019). Crystal Orientation Drives the Interface Physics at Two/Three-Dimensional Hybrid Perovskites. J Phys Chem Lett 10, 5713-5720 (10.1021/acs.jpclett.9b02224)

Bräm, O., Cannizzo, A., and Chergui, M. (2019). Ultrafast Broadband Fluorescence Up-conversion Study of the Electronic Relaxation of Metalloporphyrins. J Phys Chem A 123, 1461-1468 (10.1021/acs.jpca.9b00007)

Brickel, S., and Meuwly, M. (2019). Molecular Determinants for Rate Acceleration in the Claisen Rearrangement Reaction. J Phys Chem B 123, 448-456 (10.1021/acs.jpcb.8b11059)

Burgos-Caminal, A., Moreno-Naranjo, J.M., Willauer, A.R., Paraecattil, A.A., Ajdarzadeh Oskouei, A., and Moser, J.E. (2019). Hot Carrier Mobility Dynamics Unravel Competing Sub-ps Cooling Processes in Lead Halide Perovskites. arXiv, arXiv:1909.04589. (https://arxiv.org/abs/1909.04589)

Cannelli, O., Bacellar, C., Ingle, R.A., Bohinc, R., Kinschel, D., Bauer, B., Ferreira, D.S., Grolimund, D., Mancini, G.F., and Chergui, M. (2019). Toward time-resolved laser T-jump/X-ray probe spectroscopy in aqueous solutions. Struct Dynam 6, 064303. (10.1063/1.5129626)

Chergui, M. (2019a). Ultrafast molecular photophysics in the deep-ultraviolet. J Chem Phys 150, 070901 ( 10.1063/1.5082644)

Chergui, M. (2019b). Ultrafast photoinduced energy and charge transfer. Faraday Disc 216, 9-37 (10.1039/C9FD00036D)

Chernyshev, A.V., Guda, A.A., Cannizzo, A., Solov’eva, E.V., Voloshin, N.A., Rusalev, Y., Shapovalov, V.V., Smolentsev, G., Soldatov, A.V., and Metelitsa, A.V. (2019). Operando XAS and UV–Vis Characterization of the Photodynamic Spiropyran–Zinc Complexes. J Phys Chem B 123, 1324-1331 (10.1021/acs.jpcb.8b11010)

Choi, S., and Vaníček, J. (2019). Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation. J Chem Phys 150, 204112 (10.1063/1.5092611)

Ciardi, G., Berger, A., Hamm, P., and Shalit, A. (2019). Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy. J Phys Chem Lett 10, 4463-4468 (10.1021/acs.jpclett.9b01528)

Dänekamp, B., Droseros, N., Tsokkou, D., Brehm, V., Boix, P.P., Sessolo, M., Banerji, N., and Bolink, H.J. (2019). Influence of hole transport material ionization energy on the performance of perovskite solar cells. J Mater Chem C 7, 523-527 (10.1039/C8TC05372C)

Desmond, J.L., Koner, D., and Meuwly, M. (2019). Probing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy. J Phys Chem B 123, 6588-6598 (10.1021/acs.jpcb.9b04628)

Diamantis, P., Hage, K.E., and Meuwly, M. (2019a). Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of Myoglobin. J Phys Chem B 123, 1961-1972 (10.1021/acs.jpcb.8b11454)

Diamantis, P., Tavernelli, I., and Röthlisberger, U. (2019b). Vertical Ionization Energies and Electron Affinities of Native and Damaged DNA Bases, Nucleotides, and Pairs from Density Functional Theory Calculations: Model Assessment and Implications for DNA Damage Recognition and Repair. J Chem Theory Comput 15, 2042-2052 (10.1021/acs.jctc.8b00645)

Dörfler, A.D., Eberle, P., Koner, D., Tomza, M., Meuwly, M., and Willitsch, S. (2019). Long-range versus short-range effects in cold molecular ion-neutral collisions. Nature Commun 10, 5429 (10.1038/s41467-019-13218-x)

Dornes, C., Acremann, Y., Savoini, M., Kubli, M., Neugebauer, M.J., Abreu, E., Huber, L., Lantz, G., Vaz, C.A.F., Lemke, H., Bothschafter, E.M., Porer, M., Esposito, V., Rettig, L., Buzzi, M., Alberca, A., Windsor, Y.W., Beaud, P., Staub, U., Zhu, D., Song, S., Glownia, J.M., and Johnson, S.L. (2019). The ultrafast Einstein–de Haas effect. Nature 565, 209-212 (10.1038/s41586-018-0822-7)

Fang, W., Thapa, M.J., and Richardson, J.O. (2019). Nonadiabatic quantum transition-state theory in the golden-rule limit. II. Overcoming the pitfalls of the saddle-point and semiclassical approximations. J Chem Phys 151, 214101 (10.1063/1.5131092)

Flores-Diaz, N., Bahng, H.W., Vlachopoulos, N., Moser, J.E., Zakeeruddin, S.M., Grätzel, M., and Hagfeldt, A. (2019). A tandem redox system with a cobalt complex and 2-azaadamantane-N-oxyl for fast dye regeneration and open circuit voltages exceeding 1 V. J Mater Chem A 7, 10998-11006 (10.1039/C9TA00490D)

Gartmann, T.E., Ban, L., Yoder, B.L., Hartweg, S., Chasovskikh, E., and Signorell, R. (2019). Relaxation Dynamics and Genuine Properties of the Solvated Electron in Neutral Water Clusters. J Phys Chem Lett, 10, 4777-4782. (10.1021/acs.jpclett.9b01802)

Hamm, P. (2019). Velocity echoes in water. J Chem Phys 151, 054505 (10.1063/1.5112163)

Hammerland, D., Zhang, P., Kuhn, S., Jojart, P., Seres, I., Zuba, V., Varallyay, Z., Charalambidis, D., Osvay, K., Luu, T.T., and Wörner, H.J. (2019). Reconstruction of attosecond pulses in the presence of interfering dressing fields using a 100 kHz laser system at ELI-ALPS. J Phys B-At Mol Opt 52, 23LT01 (10.1088/1361-6455/ab486c/meta)

Hartmann, N., Bhattacharyya, S., Schläpfer, F., Volkov, M., Schumacher, Z., Lucchini, M., Gallmann, L., Röthlisberger, U., and Keller, U. (2019). Ultrafast nuclear dynamics of the acetylene cation C2H2+ and its impact on the infrared probe pulse induced C-H bond breaking efficiency. Phys Chem Chem Phys 21, 18380-18385 (10.1039/C9CP03138C)

Heider, R., Wagner, M.S., Hartmann, N., Ilchen, M., Buck, J., Hartmann, G., Shirvanyan, V., Lindahl, A.O., Grunert, J., Krzywinski, J., Liu, J., Ossiander, M., Lutman, A.A., Maxwell, T., Miahnahri, A.A., Moeller, S.P., Planas, M., Robinson, J., Viefhaus, J., Feurer, T., Kienberger, R., Coffee, R.N., and Helml, W. (2019). Megahertz-compatible angular streaking with few-femtosecond resolution at x-ray free-electron lasers. Phys Rev A 100, 053420 (10.1103/PhysRevA.100.053420)

Hofmann, C., Landsman, A.S., and Keller, U. (2019). Attoclock revisited on electron tunnelling time. J Modern Opt 66, 1052-1070 (10.1080/09500340.2019.1596325)

Houver, S., Huber, L., Savoini, M., Abreu, E., and Johnson, S.L. (2019). 2D THz spectroscopic investigation of ballistic conduction-band electron dynamics in InSb. Opt Express 27, 10854-10865 (10.1364/OE.27.010854)

Ingold, G., Abela, R., Arrell, C., Beaud, P., Bohler, P., Cammarata, M., Deng, Y.P., Erny, C., Esposito, V., Flechsig, U., Follath, R., Hauri, C., Johnson, S., Juranic, P., Mancini, G.F., Mankowsky, R., Mozzanica, A., Oggenfuss, R.A., Patterson, B.D., Patthey, L., Pedrini, B., Rittmann, J., Sala, L., Savoini, M., Svetina, C., Zamofing, T., Zerdane, S., and Lemke, H.T. (2019). Experimental station Bernina at SwissFEL: condensed matter physics on femtosecond time scales investigated by X-ray diffraction and spectroscopic methods. J Synchrotron Rad 26, 874-886 (10.1107/S160057751900331X)

Karandashev, K., and Vaníček, J. (2019). Accelerating equilibrium isotope effect calculations. II. Stochastic implementation of direct estimators. J Chem Phys 151, 134116 (10.1063/1.5124995)

Kim, H.W., Vinokurov, N.A., Baek, I.H., Oang, K.Y., Kim, M.H., Kim, Y.C., Jang, K.-H., Lee, K., Park, S.H., Park, S., Shin, J., Kim, J., Rotermund, F., Cho, S., Feurer, T., and Jeong, Y.U. (2019). Towards jitter-free ultrafast electron diffraction technology. Nature Photon. 14, 245-249 (10.1038/s41566-019-0566-4)

Kliuiev, P., Zamborlini, G., Jugovac, M., Gurdal, Y., Arx, K.v., Waltar, K., Schnidrig, S., Alberto, R., Iannuzzi, M., Feyer, V., Hengsberger, M., Osterwalder, J., and Castiglioni, L. (2019). Combined orbital tomography study of multi-configurational molecular adsorbate systems. Nature Commun 10, 5255 (10.1038/s41467-019-13254-7)

Koner, D., Unke, O.T., Boe, K., Bemish, R.J., and Meuwly, M. (2019). Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation. J Chem Phys 150, 211101 (10.1063/1.5097385)

Koner, D., Veliz, J.C.S., van der Avoird, A., and Meuwly, M. (2019). Near dissociation states for H2+-He on MRCI and FCI potential energy surfaces. Phys Chem Chem Phys 21, 24976-24983 (10.1039/C9CP05259C)

Kozina, M., Fechner, M., Marsik, P., van Driel, T., Glownia, J.M., Bernhard, C., Radovic, M., Zhu, D., Bonetti, S., Staub, U., and Hoffmann, M.C. (2019). Terahertz-driven phonon upconversion in SrTiO3. Nature Phys. 15, 387392 (10.1038/s41567-018-0408-1)

Kubli, M., Savoini, M., Abreu, E., Burganov, B., Lantz, G., Huber, L., Neugebauer, J.M., Boie, L., Esposito, V., Bothschafter, M.E., Parchenko, S., Grübel, S., Porer, M., Rittmann, J., Beaud, P., Staub, U., Yabashi, M., Tanaka, Y., Katayama, T., Togashi, T., Kohutych, A.A., Vysochanskii, M.Y., and Johnson, L.S. (2019). Kinetics of a Phonon-Mediated Laser-Driven Structural Phase Transition in Sn2P2Se6. Appl Sci 9, 525 (10.3390/app9030525)

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