Max Planck Institute for Multidisciplinary Sciences

Publications

Journal Article (248)

1.

Journal Article

Zhao, K.; Auerbach, D. J.; Campbell, C.T.: Predicting Adhesion Energies of Metal Nanoparticles to Support Surfaces, Which Determines Metal Chemical Potential versus Particle Size and Thus Catalyst Performance. ACS Catalysis 14, pp. 12857 - 12864 (2024)

MPG.PuRe

2.

Journal Article

Sabour, B.; Wagner, R. J. V.; Krüger, B. C.; Kandratsenka, A.; Wodtke, A. M.; Schäfer, T.; Park, G. B.: Vibrationally Mode-Specific Molecular Energy Transfer to Surface Electrons in Metastable Formaldehyde Scattering from Cesium-Covered Au(111). The Journal of Physical Chemistry A 128 (25), pp. 4976 - 4983 (2024)

MPG.PuRe

publisher-version

3.

Journal Article

Ort, L.; Röder, L. L.; Parchatka, U.; Königstedt, R.; Crowley, D. J.; Kunz, F.; Wittkowski, R.; Lelieveld, J.; Fischer, H.: In-flight characterization of a compact airborne quantum cascade laser absorption spectrometer. Atmospheric Measurement Techniques 17 (11), pp. 3553 - 3565 (2024)

MPG.PuRe

publisher-version

4.

Journal Article

Rahinov, I.; Kandratsenka, A.; Schäfer, T.; Shirhatti, P. R.; Golibrzuch, K.; Wodtke, A. M.: Vibrational Energy Transfer in Collisions of Molecules with Metal Surfaces. Physical Chemistry Chemical Physics 26, pp. 15090 - 15114 (2024)

MPG.PuRe

5.

Journal Article

Franz, J.; Oelschlegel, M.; Zobel, J. P.; Hua, S.-A.; Borter, J.-H.; Schmid, L.; Morselli, G.; Wenger, O. S.; Schwarzer, D.; Meyer, F. et al.; González, L.: Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer. Journal of the American Chemical Society 146 (16), pp. 11272 - 11288 (2024)

MPG.PuRe

publisher-version

6.

Journal Article

Krüger, K.; Hertl, N.; Wodtke, A. M.; Bünermann, O.: Temperature dependence of the Ge(111) surface electronic structure probed by inelastic H atom scattering. Physical Review Materials 8 (3), 034603 (2024)

MPG.PuRe

7.

Journal Article

Fingerhut, J.; Lecroart, L.; Schwarzer, M.; Hörandl, S.; Borodin, D.; Kandratsenka, A.; Wodtke, A. M.; Auerbach, D. J.; Kitsopoulos, T. N.: Identification of reaction intermediates in the decomposition of formic acid on Pd. Faraday Discussions 251, pp. 412 - 434 (2024)

MPG.PuRe

8.

Journal Article

Dissanayake, R. E. A.; Dorst, A. C.; Benfreha, K.; Killelea, D. R.; Schäfer, T.: Heterogeneously Catalyzed Partial Oxidation of Styrene on a Silver Surface. ChemCatChem (2024)

MPG.PuRe

publisher-version

9.

Journal Article

Krüger, K.; Wang, Y.; Zhu, L.; Jiang, B.; Guo, H.; Wodtke, A. M.; Bünermann, O.: Isotope effect suggests site-specific nonadiabaticity on Ge(111)c(2×8). Natural Sciences 4 (1), e20230019 (2024)

MPG.PuRe

publisher-version

10.

Journal Article

Liebetrau, M.; Dorenkamp, Y.; Bünermann, O.; Behler, J.: Hydrogen atom scattering at the Al₂O₃(0001) surface: a combined experimental and theoretical study. Physical Chemistry Chemical Physics 26, pp. 1696 - 1708 (2024)

MPG.PuRe

publisher-version

11.

Journal Article

Yang, W.; Foreman, M. M.; Saric, S.; Wodtke, A. M.; Wilson, K. R.; Neumark, D. M.: Molecular beam scattering from flat jets of liquid dodecane and water. Natural Sciences 4 (2-3), e20240009 (2024)

MPG.PuRe

publisher-version

12.

Journal Article

Shi, L.; Schröder, M.; Meyer, H.-D.; Peláez, D.; Wodtke, A. M.; Golibrzuch, K.; Schönemann, A.-M.; Kandratsenka, A.; Gatti, F.: Quantum and classical molecular dynamics for H atom scattering from graphene. The Journal of Chemical Physics 159, 194102 (2023)

MPG.PuRe

13.

Journal Article

Zhao, K.; Auerbach, D. J.; Campbell, C. T.: Calorimetric Energies and Chemical Potentials of Metal Atoms in Catalytic Nanoparticles on Oxide and Carbon Supports: Improved Size Dependencies and Adhesion Energies. ACS Catalysis 13 (21), pp. 13968 - 13981 (2023)

MPG.PuRe

14.

Journal Article

Floss, P.; Reilly, C. S.; Auerbach, D. J.; Beck, R. D.: Surface-induced vibrational energy redistribution in methane/surface scattering depends on catalytic activity. Frontiers in Chemistry 11, 1238711 (2023)

MPG.PuRe

publisher-version

15.

Journal Article

Choudhury, A.; Sinha, S.; Harlander, D.; DeVine, J.; Kandratsenka, A.; Saalfrank, P.; Schwarzer, D.; Wodtke, A. M.: Manipulating tunnelling gateways in condensed phase isomerization. Natural Sciences 3 (3), e20230006 (2023)

MPG.PuRe

publisher-version

16.

Journal Article

Katoch, G.; Prakash, J.; Jasrotia, R.; Verma, A.; Verma, R.; Kumari, S.; Ahmad, T.; Godara, S. K.; Ahmed, J.; Kandwal, A. et al.; Fazil, M.; Maji, P. K.; Kumar, S.; Kumar, G.: Sol-gel auto-combustion developed Nd and Dy co-doped Mg nanoferrites for photocatalytic water treatment, electrocatalytic water splitting and biological applications. Journal of Water Process Engineering 53, 103726 (2023)

MPG.PuRe

17.

Journal Article

Quan, J.; Yin, R.; Zhao, Z.; Yang, X.; Kandratsenka, A.; Auerbach, D. J.; Wodtke, A. M.; Guo, H.; Park, G. B.: Highly Rotationally Excited N₂ Reveals Transition-State Character in the Thermal Decomposition of N₂O on Pd(110). Journal of the American Chemical Society 145 (22), pp. 12044 - 12050 (2023)

MPG.PuRe

publisher-version

18.

Journal Article

Zhao, Z.; Wang, Y.; Yang, X.; Quan, J.; Krüger, B. C.; Stoicescu, P.; Nieman, R.; Auerbach, D. J.; Wodtke, A. M.; Guo, H. et al.; Park, G. B.: Spin-dependent reactivity and spin-flipping dynamics in oxygen atom scattering from graphite. Nature Chemistry 15, pp. 1006 - 1011 (2023)

MPG.PuRe

publisher-version

19.

Journal Article

Krüger, K.; Wang, Y.; Tödter, S.; Debbeler, F.; Matveenko, A.; Hertl, N.; Zhou, X.; Jiang, B.; Guo, H.; Wodtke, A. M. et al.; Bünermann, O.: Hydrogen atom collisions with a semiconductor efficiently promote electrons to the conduction band. Nature Chemistry 15, pp. 326 - 331 (2023)

MPG.PuRe

publisher-version

20.

Journal Article

Cobos, C. J.; Tellbach, E.; Sölter, L.; Troe, J.: Influence of Molecular Parameters on Rate Constants of Thermal Dissociation/Recombination Reactions: The Reaction System CF4 ⇄ CF3 + F. The Journal of Physical Chemistry A 127 (7), pp. 1697 - 1701 (2023)

MPG.PuRe

publisher-version

21.

Journal Article

Lau, J. A.; Verma, V. B.; Schwarzer, D.; Wodtke, A. M.: Superconducting single-photon detectors in the mid-infrared for physical chemistry and spectroscopy. Chemical Society Reviews 52, pp. 921 - 941 (2023)

MPG.PuRe

publisher-version

22.

Journal Article

Fingerhut, J.; Lecroart, L.; Borodin, D.; Schwarzer, M.; Hoerandl, S.; Kandratsenka, A.; Auerbach, D. J.; Wodtke, A. M.; Kitsopoulos, T. N.: Binding Energy and Diffusion Barrier of Formic Acid on Pd(111). The Journal of Physical Chemistry A 127 (1), pp. 142 - 152 (2023)

MPG.PuRe

publisher-version

23.

Journal Article

Dorst, A. C.; Dissanayake, R. E. A.; Schauermann, D.; Knies, S.; Wodtke, A. M.; Killelea, D.R.; Schäfer, T.: Hyperthermal velocity distributions of recombinatively-desorbing oxygen from Ag(111). Frontiers in Chemistry 11, 1248456 (2023)

MPG.PuRe

publisher-version

24.

Journal Article

Reilly, C. S.; Floß, P.; Chen, B.-J.; Auerbach, D. J.; Beck, R. D.: Quantum state-resolved methane scattering from Ni(111) and NiO(111) by bolometer infrared laser tagging: The effect of surface oxidation. The Journal of Chemical Physics 158, 214202 (2023)

MPG.PuRe

publisher-version

25.

Journal Article

Zhao, K.; Auerbach, D. J.; Campbell, C. T.: Low-Energy Ion Scattering Intensities from Supported Nanoparticles: The Spherical Cap Model. The Journal of Physical Chemistry C 127 (19), pp. 9129 - 9144 (2023)

MPG.PuRe

26.

Journal Article

Borodin, D.; Galparsoro, O.; Rahinov, I.; Fingerhut, J.; Schwarzer, M.; Horandl, S.; Auerbach, D. J.; Kandratsenka, A.; Schwarzer, D.; Kitsopoulos, T. N. et al.; Wodtke, A. M.: Steric Hindrance of NH₃ Diffusion on Pt(111) by Co-Adsorbed O-Atoms. Journal of the American Chemical Society 144 (47), pp. 21791 - 21799 (2022)

MPG.PuRe

publisher-version

27.

Journal Article

Hertl, N.; Krüger, K.; Bünermann, O.: Electronically Nonadiabatic H Atom Scattering from Low Miller Index Surfaces of Silver. Langmuir 38 (46), pp. 14162 - 14171 (2022)

MPG.PuRe

28.

Journal Article

Golibrzuch, K.; Walpole, V.; Schönemann, A.-M.; Wodtke, A. M.: Generation of Sub-nanosecond H Atom Pulses for Scattering from Single-Crystal Epitaxial Graphene. The Journal of Physical Chemistry A 126 (43), pp. 8101 - 8110 (2022)

MPG.PuRe

publisher-version

29.

Journal Article

Choudhury, A.; DeVine, J.; Sinha, S.; Lau, J. A.; Kandratsenka, A.; Schwarzer, D.; Saalfrank, P.; Wodtke, A. M.: Condensed-phase isomerization through tunnelling gateways. Nature 612, pp. 691 - 695 (2022)

MPG.PuRe

publisher-version

30.

Journal Article

Zhang, Y.; Box, C. L.; Schäfer, T.; Kandratsenka, A.; Wodtke, A. M.; Maurer, R. J.; Jiang, B.: Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter. Physical Chemistry Chemical Physics 24 (33), pp. 19753 - 19760 (2022)

MPG.PuRe

31.

Journal Article

Schwarzer, M.; Hertl, N.; Nitz, F.; Borodin, D.; Fingerhut, J.; Kitsopoulos, T. N.; Wodtke, A. M.: Adsorption and Absorption Energies of Hydrogen with Palladium. The Journal of Physical Chemistry C 126 (34), pp. 14500 - 14508 (2022)

MPG.PuRe

publisher-version

32.

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

publisher-version

33.

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

publisher-version

34.

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

35.

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

36.

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

publisher-version

37.

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

publisher-version

38.

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

publisher-version

39.

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

publisher-version

40.

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

publisher-version

41.

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

publisher-version

42.

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

43.

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

publisher-version

44.

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

45.

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

46.

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

47.

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

48.

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

publisher-version

49.

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

publisher-version

50.

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

publisher-version

Selected Papers (free access)

original

Dmitriy Borodin, Igor Rahinov, Pranav R. Shirhatti, Meng Huang, Alexander Kandratsenka, Daniel J. Auerbach, Tianli Zhong, Hua Guo, Dirk Schwarzer, Theofanis N. Kitsopoulos, Alec M. Wodtke

Following the microscopic pathway to adsorption through chemisorption and physisorption wells.

Science 369, 1461-1465 (2020)

Das Wasserstoff-Atom (blau) trifft auf die Graphen-Oberfläche (schwarz) und geht eine ultraschnelle Bindung mit einem Kohlenstoff-Atom (rot) ein. Die hohe Energie des auftreffenden Wasserstoff-Atoms nehmen erst benachbarte Kohlenstoffatome (orange und gelb) auf und geben sie dann in Form einer Schallwelle an die Graphene-Oberfläche weiter.© Oliver Bünemann / MPI Biophysical Chemistry and Uni Göttingen

Hongyan Jiang, Marvin Kammler, Feizhi Ding, Yvonne Dorenkamp, Frederick R. Manby, Alec. M. Wodtke, Thomas F. Miller, Alexander Kandratsenka, Oliver Bünermann.

Imaging covalent bond formation by H atom scattering from graphene.

Science 364, 379-382 (2019).

original

L. Chen; J. A. Lau.; D. Schwarzer.; J. Meyer.; V.B. Verma; A.M.W. Wodtke

The Sommerfeld ground-wave limit for a molecule adsorbed at a surface.

Science 363, 158-161 (2019)