Publications

52.

Journal Article

Martin-Barrios, R.; Hertl, N.; Galparsoro, O.; Kandratsenka, A.; Wodtke, A. M.; Larregaray, P.: H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction. Physical Chemistry Chemical Physics 24, pp. 20813 - 20819 (2022)

MPG.PuRe

53.

Journal Article

Ganta, S.; Borter, J.-H.; Drechsler, C.; Holstein, J. J.; Schwarzer, D.; Clever, G. H.: Photoinduced host-to-guest electron transfer in a self-assembled coordination cage. Organic Chemistry Frontiers 9 (20), pp. 5485 - 5493 (2022)

MPG.PuRe

54.

Journal Article

Oelschlegel, M.; Hua, S.-A.; Schmid, L.; Marquetand, P.; Baeck, A.; Borter, J.-H.; Luecken, J.; Dechert, S.; Wenger, O. S.; Siewert, I. et al.; Schwarzer, D.; Gonzalez, L.; Meyer, F.: Luminescent Iridium Complexes with a Sulfurated Bipyridine Ligand: PCET Thermochemistry of the Disulfide Unit and Photophysical Properties. Inorganic Chemistry 61 (35), pp. 13944 - 13955 (2022)

MPG.PuRe

55.

Journal Article

Takeyasu, K.; Sawaki, Y.; Imabayashi, T.; Putra, S. E. M.; Halim, H. H.; Quan, J.; Hamamoto, Y.; Hamada, I.; Morikawa, Y.; Kondo, T. et al.; Fujitani, T.; Nakamura, J.: Hydrogenation of Formate Species Using Atomic Hydrogen on a Cu(111) Model Catalyst. Journal of the American Chemical Society 144 (27), pp. 12158 - 12166 (2022)

MPG.PuRe

56.

Journal Article

Papendorf, K.; Golibrzuch, K.; Zhong, T.; Schwabe, S.; Kitsopoulos, T. N.; Wodtke, A. M.: Velocity‐resolved laser‐induced desorption for kinetics on surface adsorbates. Chemistry–Methods 2 (5), e202200017 (2022)

MPG.PuRe

57.

Journal Article

DeVine, J.; Choudhury, A.; Lau, J. A.; Schwarzer, D.; Wodtke, A. M.: Spin-Forbidden Carbon–Carbon Bond Formation in Vibrationally Excited α-CO. The Journal of Physical Chemistry A 126 (14), pp. 2270 - 2277 (2022)

MPG.PuRe

58.

Journal Article

Golibrzuch, K.; Schwabe, S.; Zhong, T.; Papendorf, K.; Wodtke, A. M.: Application of an event-based camera for real-time velocity resolved kinetics. The Journal of Physical Chemistry A 126 (13), pp. 2142 - 2148 (2022)

MPG.PuRe

59.

Journal Article

Hertl, N.; Kandratsenka, A.; Wodtke, A. M.: Effective medium theory for bcc metals: Electronically non-adiabatic H atom scattering in full dimensions. Physical Chemistry Chemical Physics 24 (15), pp. 8738 - 8748 (2022)

MPG.PuRe

60.

Journal Article

Ranecky, S. T.; Park, G. B.; Samartzis, P. C.; Giannakidis, I. C.; Schwarzer, D.; Senftleben, A.; Baumert, T.; Schaefer, T.: Detecting chirality in mixtures using nanosecond photoelectron circular dichroism. Physical Chemistry Chemical Physics 24, pp. 2758 - 2761 (2022)

MPG.PuRe

61.

Journal Article

Bunjes, O.; Paul, L. A.; Dai, X.; Jiang, H.; Claus, T.; Rittmeier, A.; Schwarzer, D.; Ding, F.; Siewert, I.; Wenderoth, M.: Ordering a rhenium catalyst on Ag(001) through molecule-surface step interaction. Communications Chemistry 5, 3 (2022)

MPG.PuRe

62.

Journal Article

Borodin, D.; Hertl, N.; Park, G. B.; Schwarzer, M.; Fingerhut, J.; Wang, Y.; Zuo, J.; Nitz, F.; Skoulatakis, G.; Kandratsenka, A. et al.; Auerbach, D. J.; Schwarzer, D.; Guo, H.; Kitsopoulos, T. N.; Wodtke, A. M.: Quantum effects in thermal reaction rates at metal surfaces. Science 377, pp. 394 - 398 (2022)

MPG.PuRe

63.

Journal Article

Dorst, A.C.; Güthoff, F.; Schauermann, D.; Wodtke, A. M.; Killelea, D. R.; Schäfer, T.: Velocity map images of desorbing oxygen from sub-surface states of Rh(111). Physical Chemistry Chemical Physics 24, pp. 26421 - 26427 (2022)

MPG.PuRe

64.

Journal Article

Borodin, D.; Rahinov, I.; Galparsoro, O.; Fingerhut, J.; Schwarzer, M.; Golibrzuch, K.; Skoulatakis, G.; Auerbach, D. J.; Kandratsenka, A.; Kitsopoulos, T. N. et al.; Wodtke, A. M.: Kinetics of NH3 desorption and diﬀusion on Pt: Implications for the Ostwald process. Journal of the American Chemical Society 143 (43), pp. 18305 - 18316 (2021)

MPG.PuRe

65.

Journal Article

Fingerhut, J.; Borodin, D.; Schwarzer, M.; Skoulatakis, G.; Auerbach, D. J.; Wodtke, A. M.; Kitsopoulos, T. N.: The barrier for CO2 functionalization to formate on hydrogenated Pt. Journal of Physical Chemistry A 125 (34), pp. 7396 - 7405 (2021)

MPG.PuRe

66.

Journal Article

Quan, J.; Chang, Y.; Li, Z.; Zhao, Y.; Luo, Z.; Wu, Y.; Zhang, S.; Chen, Z.; Yang, J.; Yuan, K. et al.; Yang, X.; Krüger, B. C.; Schwarzer, D.; Wodtke, A. M.; Park, G. B.: A free electron laser-based 1+1′ resonance-enhanced multiphoton ionization scheme for rotationally resolved detection of OH radicals with correct relative intensities. Journal of Molecular Spectroscopy 380, 111509 (2021)

MPG.PuRe

67.

Journal Article

Lecroart, L.; Hertl, N.; Dorenkamp, Y.; Jiang, H.; Kitsopoulos, T. N.; Kandratsenka, A.; Bünermann, O.; Wodtke, A. M.: Adsorbate modification of electronic nonadiabaticity: H atom scattering from p(2 × 2) O on Pt(111). The Journal of Chemical Physics 155 (3), 034702 (2021)

MPG.PuRe

68.

Journal Article

Hertl, N.; Kandratsenka, A.; Bünermann, O.; Wodtke, A. M.: Multibounce and subsurface scattering of H atoms colliding with a van der Waals solid. The Journal of Physical Chemistry A 125 (26), pp. 5745 - 5762 (2021)

MPG.PuRe

69.

Journal Article

Hertl, N.; Martin-Barrios, R.; Galparsoro, O.; Larrégaray, P.; Auerbach, D. J.; Schwarzer, D.; Wodtke, A. M.; Kandratsenka, A.: Random force in molecular dynamics with electronic friction. The Journal of Physical Chemistry C 125 (26), pp. 14468 - 14473 (2021)

MPG.PuRe

70.

Journal Article

Schluschaß, B.; Borter, J.-H.; Rupp, S.; Demeshko, S.; Herwig, C.; Limberg, C.; Maciulis, N. A.; Schneider, J.; Würtele, C.; Krewald, V. et al.; Schwarzer, D.; Schneider, S.: Cyanate formation via photolytic splitting of dinitrogen. JACS Au 1 (6), pp. 879 - 894 (2021)

MPG.PuRe

71.

Journal Article

Borodin, D.; Rahinov, I.; Fingerhut, J.; Schwarzer, M.; Hörandl, S.; Skoulatakis, G.; Schwarzer, D.; Kitsopoulos, T. N.; Wodtke, A. M.: NO binding energies to and diffusion barrier on Pd obtained with velocity-resolved kinetics. The Journal of Physical Chemistry C 125 (21), pp. 11773 - 11781 (2021)

MPG.PuRe

72.

Journal Article

Auerbach, D. J.; Tully, J. C.; Wodtke, A. M.: Chemical dynamics from the gas-phase to surfaces. Natural Sciences 1 (1), e10005 (2021)

MPG.PuRe

73.

Journal Article

Bünermann, O.; Kandratsenka, A.; Wodtke, A. M.: Inelastic scattering of H atoms from surfaces. Journal of Physical Chemistry A 125 (15), pp. 3059 - 3076 (2021)

MPG.PuRe

74.

Journal Article

Jiang, H.; Tao, X.; Kammler, M.; Ding, F.; Wodtke, A.; Kandratsenka, A.; Miller III, T. F.; Bünermann, O.: Small nuclear quantum effects in scattering of H and D from graphene. Journal of Physical Chemistry Letters 12 (7), pp. 1991 - 1996 (2021)

MPG.PuRe

75.

Journal Article

Heindl, M.; Jiang, H.; Hua, S.-A.; Oelschlegel, M.; Meyer, F.; Schwarzer, D.; González, L.: Excited-state dynamics of [Ru(S–Sbpy)(bpy)2]2+to form long-lived localized triplet states. Inorganic Chemistry 60 (3), pp. 1672 - 1682 (2021)

MPG.PuRe

76.

Journal Article

Lau, J. A.; Chen, L.; Choudhury, A.; Schwarzer, D.; Verma, V. B.; Wodtke, A. M.: Transporting and concentrating vibrational energy to promote isomerization. Nature 589 (7842), pp. 391 - 395 (2021)

MPG.PuRe

77.

Journal Article

Zimara, J.; Stevens, H.; Oswald, R.; Demeshko, S.; Dechert, S.; Mata, R. A.; Meyer, F.; Schwarzer, D.: Time-resolved spectroscopy of photoinduced electron transfer in dinuclear and tetranuclear Fe/Co prussian blue analogues. Inorganic Chemistry 60 (1), pp. 449 - 459 (2021)

MPG.PuRe

78.

Journal Article

Zimara, J.; Stevens, H.; Oswald, R.; Demeshko, S.; Dechert, S.; Mata, R. A.; Meyer, F.; Schwarzer, D.: Time-resolved spectroscopy of photoinduced electron transfer in dinuclear and tetranuclear Fe/Co Prussian blue analogues. Inorganic Chemistry 60 (1), pp. 449 - 459 (2021)

MPG.PuRe

79.

Journal Article

Borodin, D.; Schwarzer, M.; Hahn, H. W.; Fingerhut, J.; Wang, Y.; Auerbach, D. J.; Guo, H.; Schroeder, J.; Kitsopoulos, T. N.; Wodtke, A. M.: The puzzle of rapid hydrogen oxidation on Pt(111). Molecular Physics 119 (17-18), e1966533 (2021)

MPG.PuRe

80.

Journal Article

Wille, S.; Jiang, H.; Bünermann, O.; Wodtke, A. M.; Behler, J.; Kandratsenka, A.: An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality. Physical Chemistry Chemical Physics 22 (45), pp. 26113 - 26120 (2020)

MPG.PuRe

ZIP

81.

Journal Article

Borodin, D.; Golibrzuch, K.; Schwarzer, M.; Fingerhut, J.; Skoulatakis, G.; Schwarzer, D.; Seelemann, T.; Wodtke, A. M.: Measuring transient reaction rates from nonstationary catalysts. ACS Catalysis 10 (23), pp. 14056 - 14066 (2020)

MPG.PuRe

82.

Journal Article

Geweke, J.; Wodtke, A. M.: Vibrationally inelastic scattering of HCl from Ag(111). Journal of Chemical Physics 153 (16), 164703 (2020)

MPG.PuRe

83.

Journal Article

Lau, J. A.; Schönemann, A.-M.; Schwarzer, D.; Wodtke, A. M.: The coverage dependence of the infrared absorption of CO adsorbed to NaCI(100). The Journal of Chemical Physics 153 (15), 154703 (2020)

MPG.PuRe

84.

Journal Article

Borodin, D.; Rahinov, I.; Shirhatti, P. R.; Huang, M.; Kandratsenka, A.; Auerbach, D. J.; Zhong, T.; Guo, H.; Schwarzer, D.; Kitsopoulos, T. N. et al.; Wodtke, A. M.: Following the microscopic pathway to adsorption through chemisorption and physisorption wells. Science 369 (6510), pp. 1461 - 1465 (2020)

MPG.PuRe

85.

Journal Article

Galparsoro, O.; Kaufmann, S.; Auerbach, D. J.; Kandratsenka, A.; Wodtke, A. M.: First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111). Physical Chemistry Chemical Physics 22 (31), pp. 17532 - 17539 (2020)

MPG.PuRe

86.

Journal Article

Westphal, G.; Wega, J.; Dissanayake, R. E. A.; Schäfer, T.: Chirality detection of surface desorption products using photoelectron circular dichroism. The Journal of Chemical Physics 153 (5), 054707 (2020)

MPG.PuRe

87.

Journal Article

Gerrits, N.; Geweke, J.; Smeets, E. W. F.; Voss, J.; Wodtke, A. M.; Kroes, G.-J.: Closing the gap between experiment and theory: Reactive scattering of HCl from Au(111). Journal of Physical Chemistry C 124 (29), pp. 15944 - 15960 (2020)

MPG.PuRe

88.

Journal Article

Paul, L. A.; Röttcher, N. C.; Zimara, J.; Borter, J.-H.; Du, J.-P.; Schwarzer, D.; Mata, R. A.; Mata; Siewert, I.: Photochemical properties of Re(CO)3 complexes with and without a local proton source and implications for CO2 reduction catalysis. Organometallics 39 (13), pp. 2405 - 2414 (2020)

MPG.PuRe

89.

Journal Article

Naumova, M. A.; Kalinko, A.; Wong, J. W. L.; Alvarez Gutierrez, S.; Meng, J.; Liang, M.; Abdellah, M.; Geng, H.; Lin, W.; Kubicek, K. et al.; Biednov, M.; Lima, F.; Galler, A.; Zalden, P.; Checchia, S.; Mante, P.-A.; Zimara, J.; Schwarzer, D.; Demeshko, S.; Murzin, V.; Gosztola, D.; Jarenmark, M.; Zhang, J.; Bauer, M.; Lawson Daku, M. L.; Khakhulin, D.; Gawelda, W.; Bressler, C.; Meyer, F.; Zheng, K.; Canton, S. E.: Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum. The Journal of Chemical Physics 152 (21), 214301 (2020)

MPG.PuRe

90.

Journal Article

Kastner, A.; Koumarianou, G.; Glodic, P.; Samartzis, P. C.; Ladda, N.; Ranecky, S. T.; Ring, T.; Vasudevan, S.; Witte, C.; Braun, H. et al.; Lee, H.-G.; Senftleben, A.; Berger, R.; Park, G. B.; Schäfer, T.; Baumert, T.: High-resolution resonance-enhanced multiphoton photoelectron circular dichroism. Physical Chemistry Chemical Physics 22 (14), pp. 7404 - 7411 (2020)

MPG.PuRe

91.

Journal Article

Naumova, M. A.; Kalinko, A.; Wong, J. W. L.; Abdellah, M.; Geng, H.; Domenichini, E.; Meng, J.; Gutierrez, S. A.; Mante, P.-A.; Lin, W. et al.; Zalden, P.; Galler, A.; Lima, F.; Kubicek, K.; Biednov, M.; Britz, A.; Checchia, S.; Kabanova, V.; Wulff, M.; Zimara, J.; Schwarzer, D.; Demeshko, S.; Murzin, V.; Gosztola, D.; Jarenmark, M.; Zhang, J.; Bauer, M.; Lawson Daku, M. L.; Gawelda, W.; Khakhulin, D.; Bressler, C.; Meyer, F.; Zheng, K.; Canton, S. E.: Revealing hot and long-lived metastable spin states in the photoinduced switching of solvated metallogrid complexes with femtosecond optical and x-ray spectroscopies. The Journal of Physical Chemistry Letters 11 (6), pp. 2133 - 2141 (2020)

MPG.PuRe

92.

Journal Article

Lau, J. A.; Choudhury, A.; Chen, L.; Schwarzer, D.; Verma, V. B.; Wodtke, A. M.: Observation of an isomerizing double-well quantum system in the condensed phase. Science 367 (6474), pp. 175 - 178 (2020)

MPG.PuRe

93.

Journal Article

Prozument, K.; Baraban, J. H.; Changala, P. B.; Park, G. B.; Shaver, R. G.; Muenter, J. S.; Klippenstein, S. J.; Chernyak, V. Y.; Field, R. W.: Photodissociation transition states characterized by chirped pulse millimeter wave spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 117 (1), pp. 146 - 151 (2020)

MPG.PuRe

94.

Journal Article

Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E.; Troe, J.: Falloff curves of the reaction CF₃ (+M) → CF₂ + F (+M). The Journal of Physical Chemistry A 124 (7), pp. 1235 - 1239 (2020)

MPG.PuRe

95.

Journal Article

Westphal, G.; Wallrabe, M.; Schäfer, T.: Unravelling reaction products of styrene oxide adsorbed on Ag(111) using REMPI-assisted temperature-programmed desorption. The Journal of Physical Chemistry 124 (1), pp. 799 - 804 (2020)

MPG.PuRe

96.

Journal Article

Kumar, S.; Jiang, H.; Schwarzer, M.; Kandratsenka, A.; Schwarzer, D.; Wodtke, A. M.: Vibrational relaxation lifetime of a physisorbed molecule at a metal surface. Physical Review Letters 123 (15), 156101 (2019)

MPG.PuRe

97.

Journal Article

Park, G. B.; Krüger, B. C.; Borodin, D.; Kitsopoulos, T.; Wodtke, A. M.: Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces. Reports on Progress in Physics 82 (9), 09640 (2019)

MPG.PuRe

98.

Journal Article

Krüger, B. C.; Schäfer, T.; Wodtke, A. M.; Park, G. B.: Quantum-state resolved lifetime of triplet (ã³A₂) formaldehyde. Journal of Molecular Spectroscopy 362, pp. 61 - 68 (2019)

MPG.PuRe

99.

Journal Article

Lee, H. J.; Yang, U. J.; Kim, K. N.; Park, S.; Kil, K. H.; Kim, J. S.; Wodtke, A. M.; Choi, W. J.; Kim, M. H.; Baik, J. M.: Directional Ostwald ripening for producing aligned arrays of nanowires. Nano Letters 19 (7), pp. 4306 - 4313 (2019)

MPG.PuRe

100.

Journal Article

Jiang, H.; Dorenkamp, Y.; Krüger, K.; Bünermann, O.: Inelastic H and D atom scattering from Au(111) as benchmark for theory. The Journal of Chemical Physics 150 (18), 184704 (2019)

MPG.PuRe