2025

Jooss, C., M. Seibt, M. Wenderoth, O. Bünermann, O. Bunjes, T. Domröse, C. Eckel, F. Falorsi, C. Flathmann, M.K.M.d. Azagra, M. Krüger, J. Lindner, T. Meyer, C. Ropers, U. Ross, K. Rossnagel, S.S.N. Lalithambika, S. Techert, G.A. Traeger, C. Volkert, R.T. Weitz, and A.M. Wodtke: Advancing Energy Materials by In Situ Atomic Scale Methods: Advanced Energy Materials, 2404280 (2025); doi:10.1002/aenm.202404280

Golibrzuch, K. and A.M. Wodtke: A simple cavity-enhanced laser-based heater for reflective samples: Review of Scientific Instruments 96, 015115 (2025); doi:10.1063/5.0248517

Schmitt, D., J.P. Bange, W. Bennecke, G. Meneghini, A. Almutairi, M. Merboldt, J. Pöhls, K. Watanabe, T. Taniguchi, S. Steil, D. Steil, R.T. Weitz, S. Hofmann, S. Brem, G.S.M. Jansen, E. Malic, S. Mathias, and M. Reutzel: Ultrafast nano-imaging of dark excitons: Nature Photonics 19, 187-194 (2025); doi:10.1038/s41566-024-01568-y

Kothe, T., M. Diefenbach, V. Tagliavini, S. Dechert, V. Krewald, and F. Meyer: Intramolecular Agostic Interactions and Dynamics of a Methyl Group at a Preorganized Dinickel(II) Site: Inorganic Chemistry 64, 1219-1227 (2025); doi:10.1021/acs.inorgchem.4c04255

Neben, M.C., N. Wegerich, T.A. Al Said, R.R. Thompson, S. Demeshko, K. Dollberg, I. Tkach, G.P. Van Trieste, H. Verplancke, C. von Hanisch, M.C. Holthausen, D.C. Powers, A. Schnegg, and S. Schneider: Transient Triplet Metallopnictinidenes M-Pn (M = Pd, Pt; Pn = P, As, Sb): Characterization and Dimerization: Journal of the American Chemical Society 147, 5330-5339 (2025); doi:10.1021/jacs.4c16830

Jiang, H.Y., Y. Dorenkamp, and O. Bünermann: Scattering of H and D Atoms from Epitaxial Graphene at Zero Coverage Limit: An Experimental Benchmark for Theory: Journal of Physical Chemistry C 129, 3003-3013 (2025); doi:10.1021/acs.jpcc.4c07734

Lv, Z.J., A. Fitterer, R. Herbst-Irmer, S. Demeshko, H. Verplancke, M.C. Holthausen, and S. Schneider: In Crystallo Wolff Rearrangement of a Metalated Diazoester: Structural Confirmation of the Singlet Carbene Wolff-Intermediate: Journal of the American Chemical Society 147, 5590-5595 (2025); doi:10.1021/jacs.4c18289

Wellauer, J., B. Pfund, I. Becker, F. Meyer, A. Prescimone, and O.S. Wenger: Iron(III) Complexes with Luminescence Lifetimes of up to 100 ns to Enhance Upconversion and Photocatalysis: Journal of the American Chemical Society 147, 8760-8768 (2025); doi:10.1021/jacs.4c18603

Falorsi, F., S.J. Zhao, K.J. Liu, C. Eckel, J.F. Poehls, W. Bennecke, M. Reutzel, S. Mathias, K. Watanabe, T. Taniguchi, Z.Y. Wang, M. Polozij, X.L. Feng, T. Heine, and R.T. Weitz: Interlayer charge transfer in graphene-2D polyimide heterostructures: 2D Materials 12, 025011 (2025); doi:10.1088/2053-1583/adac6e

Schulz, R.A., U.S. Karaca, M. Diefenbach, N.J.A. Werthmann, S. Dechert, M.M. Hansmann, M.C. Holthausen, and F. Meyer: From a P-Bridging Phosphaketene to μ-Phosphinidenide and μ-Diphosphaurea Units at a Dinickel Core: Chemistry-a European Journal 31, e202404095 (2025); doi:10.1002/chem.202404095

Spyra, C.J., D. Hiller, K.A. Eisenlohr, S. Dechert, S. Demeshko, D. Bhattacharya, J. Lücken, M.C. Holthausen, and F. Meyer: Structural Snapshots, Trajectory and Thermodynamics of the Reversible μ-1,2-Peroxo/μ-1,1-Hydroperoxo Dicopper(II) Interconversion: Angewandte Chemie-International Edition 64, e202416022 (2025); doi:10.1002/anie.202416022

2024

Schmidt-Räntsch, T., H. Verplancke, A. Kehl, J. Sun, M. Bennati, M.C. Holthausen, and S. Schneider: C═C Dissociative Imination of Styrenes by a Photogenerated Metallonitrene: JACS Au 4, 3421-3426 (2024); doi:10.1021/jacsau.4c00571

Krüger, K., Y. Wang, L. Zhu, B. Jiang, H. Guo, A.M. Wodtke, and O. Bünermann: Isotope efect suggests site-specific nonadiabaticity on Ge(111)c(2×8): Natural Sciences 4, e20230019 (2024); doi:10.1002/ntls.20230019

Schwarzer, M., D. Borodin, Y.Q. Wang, J. Fingerhut, T.N. Kitsopoulos, D.J. Auerbach, H. Guo, and A.M. Wodtke: Cooperative adsorbate binding catalyzes high-temperature hydrogen oxidation on palladium: Science 386, 511-516 (2024); doi:10.1126/science.adk1334

Titze, T., S. Koraltan, T. Schmidt, D. Suess, M. Albrecht, S. Mathias, D. Steil: All-Optical Control of Bubble and Skyrmion Breathing: Physical Review Letters 133, 156701 (2024); doi:10.1103/PhysRevLett.133.156701

Tagliavini, V., P.C. Duan, S. Chatterjee, E. Ferretti, S. Dechert, S. Demeshko, L.Q. Kang, S. Peredkov, S. DeBeer, F. Meyer: Cooperative Sulfur Transformations at a Dinickel Site: A Metal Bridging Sulfur Radical and Its H-Atom Abstraction Thermochemistry: Journal of the American Chemical Society 146, 23158-23170 (2024); doi:10.1021/jacs.4c05113

Seiler, A.M., N. Jacobsen, M. Statz, N. Fernandez, F. Falorsi, K. Watanabe, T. Taniguchi, Z.Y. Dong, L.S. Levitov, R.T. Weitz: Probing the tunable multi-cone band structure in Bernal bilayer graphene: Nature Communications 15, 3133 (2024); doi:10.1038/s41467-024-47342-0

Schatz, G.C., A.M. Wodtke, X. Yang: Spiers Memorial Lecture: New directions in molecular scattering: Faraday Discussions 251, 9-62 (2024); doi:10.1039/d4fd00015c

Sabour, B., R.J.V. Wagner, B.C. Kruger, A. Kandratsenka, A.M. Wodtke, T. Schäfer, G.B. Park: Vibrationally Mode-Specific Molecular Energy Transfer to Surface Electrons in Metastable Formaldehyde Scattering from Cesium-Covered Au(111): Journal of Physical Chemistry A 128, 4976-4983 (2024); doi:10.1021/acs.jpca.4c02184

Reutzel, M. G.S.M. Jansen, S. Mathias: Probing excitons with time-resolved momentum microscopy: Advances in Physics-X 9, 2378722 (2024); doi:10.1080/23746149.2024.2378722

Rahinov, I., A. Kandratsenka, T. Schäfer, P. Shirhatti, K. Golibrzuch, A.M. Wodtke: Vibrational energy transfer in collisions of molecules with metal surfaces: Physical Chemistry Chemical Physics 26, 15090-15114 (2024); doi:10.1039/d4cp00957f

Lv, Z.J., K.A. Eisenlohr, R. Naumann, T. Reuter, H. Verplancke, S. Demeshko, R. Herbst-Irmer, K. Heinze, M.C. Holthausen, S. Schneider: Triplet carbenes with transition-metal substituents: Nature Chemistry 16, 1788–1793 (2024); doi:10.1038/s41557-024-01597-8

Flathmann, C., T. Meyer, U. Ross, A. Dehning, C. Jooss: Relationship between structure and charge/orbital order in epitaxial single layer Ruddlesden-Popper manganite thin films: Apl Materials 12, 061112 (2024); doi:10.1063/5.0208123

Fingerhut, J., L. Lecroart, M. Schwarzer, S. Hörandl, D. Borodin, A. Kandratsenka, T.N. Kitsopoulos, D.J. Auerbach, A.M. Wodtke: Identification of reaction intermediates in the decomposition of formic acid on Pd: Faraday Discussions 251, 412-434 (2024); doi:10.1039/d3fd00174a

Domröse, T., N. Fernandez, C. Eckel, K. Rossnagel, R.T. Weitz, C. Ropers: Probing Nanoscale Imaging of Electrically Driven Charge-Density Wave Phase Transitions: Nano Letters 24, 12476-12485 (2024); doi:10.1021/acs.nanolett.4c03324

Bange, J.P., D. Schmitt, W. Bennecke, G. Meneghini, A. AlMutairi, K. Watanabe, T. Taniguchi, D. Steil, S. Steil, R.T. Weitz, G.S.M. Jansen, S. Hofmann, S. Brem, E. Malic, M. Reutzel, S. Mathias: Probing electron-hole Coulomb correlations in the exciton landscape of a twisted semiconductor heterostructure: Science Advances 10, eadi1323 (2024); doi:10.1126/sciadv.adi1323

Bunjes, O., A. Rittmeier, D. Hedman, S.-A. Hua, L.A. Paul, F  Meyer, F. Ding, M. Wenderoth: Testing functional anchor groups for the efficient immobilization of molecular catalysts on silver surfaces: Communications Chemnistry 7, 107 (2024); doi:10.1038/s42004-024-01186-3

Titze, T., S. Koraltan, T. Schmidt, M. Moeller, F. Bruckner, C. Abert, D. Suess, C. Ropers, D. Steil, M. Albrecht, S. Mathias: Laser-Induced Real-Space Topology Control of Spin Wave Resonances: Advanced Functional Materials xx, xxx (2024); doi:10.1002/adfm.202313619

Lindner, J., U. Ross, T. Meyer, V.  Boureau, M. Seibt, C. Jooss: Reconstruction of Angstrom resolution exit-waves by the application of drift-corrected phase-shifting off-axis electron holography: Ultramicroscopy 256, 113880 (2024); doi:10.1016/j.ultramic.2023.113880

Liebetrau, M., Y. Dorenkamp, O. Bünermann, J. Behler: Hydrogen atom scattering at the Al2O3(0001) surface: a combined experimental and theoretical study: Physical Chemistry Chemical Physics 26, 1696-1708 (2024); doi:10.1039/d3cp04729f

Krüger, K., N. Hertl, A.M. Wodtke, O. Bünermann: Temperature dependence of the Ge(111) surface electronic structure probed by inelastic H atom scattering: Physical Review Materials 8, 034603 (2024); doi:10.1103/PhysRevMaterials.8.034603

Franz, J., M. Oelschlegel, J.P. Zobel, S.A. Hua, J.H. Borter, L. Schmid, G. Morselli, O.S. Wenger, D. Schwarzer, F. Meyer, L. González: Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer: Journal of the American Chemical Society 146, 11272–11288 (2024); doi:10.1021/jacs.4c00548

Bennecke, W., A. Windischbacher, D. Schmitt, J.P. Bange, R. Hemm, C.S. Kern, G. D’Avino, X. Blase, D. Steil, S. Steil, M. Aeschlimann, B. Stadtmüller, M. Reutzel, P. Puschnig, G.S.M. Jansen, S. Mathias: Disentangling the multiorbital contributions of excitons by photoemission exciton tomography: Nature Communications 15, 1804 (2024); doi:10.1038/s41467-024-45973-x

Dissanayake, R.E.A., A.C. Dorst, K. Benfreha, D.R. Killelea, and T. Schäfer: Heterogeneously Catalyzed Partial Oxidation of Styrene on a Silver Surface: ChemCatChem 16, e202400657 (2024); doi:10.1002/cctc.202400657

Masseroni, M., M. Gull, A. Panigrahi, N. Jacobsen, F. Fischer, C.Y. Tong, J.D. Gerber, M. Niese, T. Taniguchi, K. Watanabe, L. Levitov, T. Ihn, K. Ensslin, and H. Duprez: Spin-orbit proximity in MoS2/bilayer graphene heterostructures: Nature Communications 15, 9251 (2024); doi:10.1038/s41467-024-53324-z

2023

Riederer, P., C. Eckel, R.T. Weitz, R. Kersting: Terahertz study of ambipolar transport in the semiconducting polymer poly-diketopyrrolopyrrole-terthiophene (PDPP3T): Applied Physics Letters 123, 182104 (2023); doi:10.1063/5.0166449

Mukherjee, J., N. Ostermann, X. Aniban, I. Safianova, N. Rotthowe, R. Mata, I. Siewert: A Nickel Complex with a Proton-Responsive PNP Pincer-Type Ligand as a Proton-Coupled Electron Transfer Reagent: Organometallics 42, 3258–3265 (2023); doi:10.1021/acs.organomet.3c00378

Lirette, F., A. Darvish, Z. Zhou, Z. Wei, L. Renn, M.A. Petrukhina, R.T. Weitz, J.F. Morin: Dibenzannulated peri-acenoacenes from anthanthrene derivatives: Chemical Science 14, 10184-10193 (2023); doi:10.1039/D3SC02898D

Zhao, Z. B., Y.Q. Wang, X.M. Yang, J.M. Quan, B.C. Kruger, P. Stoicescu, R. Nieman, D.J. Auerbach, A.M. Wodtke, H. Guo, G.B. Park: Spin-dependent reactivity and spin-flipping dynamics in oxygen atom scattering from graphite: Nature Chemistry 15, 1006-1011 (2023); doi:10.1038/s41557-023-01204-2

Quan, J. M., R.R. Yin, Z.B. Zhao, X.M. Yang, A. Kandratsenka, D.J. Auerbach, A.M. Wodtke, H. Guo, G.B. Park: Highly Rotationally Excited N-2 Reveals Transition-State Character in the Thermal Decomposition of N2O on Pd(110): Journal of the American Chemical Society 145, 12044-12050 (2023); doi:10.1021/jacs.3c01127

Liu, Y., S. Chatterjee, G.E. Cutsail, S. Peredkov,  S.K. Gupta, S. Dechert, S. DeBeer, F. Meyer: Cu4S Cluster in “0-Hole” and “1-Hole” States: Geometric and Electronic Structure Variations for the Active Cu-Z* Site of N2O Reductase: Journal of the American Chemical Society 145, 18477–18486 (2023); doi:10.1021/jacs.3c04893

Bange, J. P., P. Werner, D. Schmitt, W. Bennecke, G. Meneghini, A. AlMutairi, M. Merboldt, K. Watanabe, T. Taniguchi, S. Steil, D. Steil, R.T. Weitz, S. Hofmann, G.S.M. Jansen, S. Brem, E. Malic, M. Reutzel, S. Mathias: Ultrafast dynamics of bright and dark excitons in monolayer WSe2 and heterobilayer WSe2/MoS2: 2D Materials 10, 035039 (2023); doi:10.1088/2053-1583/ace067

Gupta, S.K., H.H. Nielsen, A.M. Thiel, E.A. Klahn, E. Feng, H.B. Cao, T.C. Hansen, E. Lelièvre-Berna, A. Gukasov, I. Kibalin, S. Dechert, S. Demeshko, J. Overgaard, F. Meyer: Multi-Technique Experimental Benchmarking of the Local Magnetic Anisotropy of a Cobalt(II) Single-Ion Magnet: JACS Au 3, 429-440 (2023); doi:10.1021/jacsau.2c00575

Seick, C., K. Stroh, T. Titze, V. Bruchmann-Bamberg, A. Weisser, S. Mathias, V. Moshnyaga, H. Ulrichs, D. Steil: Energy relaxation in (La0.6Pr0.4)0.7Ca0.3MnO3 films across the metal-insulator transition: Physical Review B 107, 085115 (2023); doi:10.1103/PhysRevB.107.085115

Mathey, P., F. Lirette, I. Fernandez, L. Renn, R.T. Weitz, J.F. Morin, J. Lindner: Annulated Azuleno[2,1,8-ija]azulenes: Synthesis and Properties: Angewandte Chemie-International Edition 62, e202216281 (2023); doi:10.1002/anie.202216281

Lindner, J., U. Ross, V. Roddatis, C. Jooss: Langmuir analysis of electron beam induced plasma in environmental TEM: Ultramicroscopy 243, 113629 (2023); doi:10.1016/j.ultramic.2022.113629

Lenz, J., M. Statz, K. Watanabe, T. Taniguchi, F. Ortmann, R.T. Weitz: Charge transport in single polymer fiber transistors in the sub-100 nm regime: temperature dependence and Coulomb blockade: Journal of Physics-Materials 6, 015001 (2023); doi:10.1088/2515-7639/aca82f

Lau, J. A., V.B. Verma, D. Schwarzer, A.M. Wodtke: Superconducting single-photon detectors in the mid-infrared for physical chemistry and spectroscopy: Chemical Society Reviews 52, 921-941 (2023); doi:10.1039/d1cs00434d

Lole, G., F. Ebrahimi, T. Meyer, D. Mierwaldt, V. Roddatis, J. Geppert, M. Risch, C. Jooss: Contrasting Pr1-xCaxMnO3 OER Catalysts with Different Valences and Covalences: Journal of Physical Chemistry C 127, 177–186 (2023); doi:10.1021/acs.jpcc.2c05622

Krüger, K., Y. Wang, S. Tödter, F. Debbeler, A. Matveenko, N. Hertl, X. Zhou, B. Jiang, H. Guo, A.M. Wodtke, O. Bünermann: Hydrogen atom collisions with a semiconductor efficiently promote electrons to the conduction band: Nature Chemistry 15, 326–331 (2023); doi:10.1038/s41557-022-01085-x

Dorst, A.C., R.E.A. Dissanayake, D. Schauermann, S. Knies, A.M. Wodtke, D.R. Killelea, and T. Schäfer: Hyperthermal velocity distributions of recombinatively-desorbing oxygen from Ag(111): Frontiers in Chemistry 11, 1248456 (2023); doi:10.3389/fchem.2023.1248456

Bruchmann-Bamberg, V., I. Weimer, V. Roddatis, U. Ross, L. Schüler, K.P. Stroh, and V. Moshnyaga: Magnetism and Thermal Transport of Exchange-Spring-Coupled La2/3Sr1/3MnO3/La2MnCoO6 Superlattices with Perpendicular Magnetic Anisotropy: Nanomaterials 13, 2897 (2023); doi:10.3390/nano13212897

Petek, H., A.D. Li, X.T. Li, S.J. Tan, and M. Reutzel: Plasmonic decay into hot electrons in silver: Progress in Surface Science 98, 100707 (2023); doi:10.1016/j.progsurf.2023.100707

2022

Lohmiller, T., C.-J. Spyra,S. Dechert, S. Demeshko, E. Bill, A. Schnegg, F. Meyer: Antisymmetric Spin Exchange in a μ‑1,2-Peroxodicopper(II) Complex with an Orthogonal Cu−O−O−Cu Arrangement and S = 1 Spin Ground State Characterized by THz-EPR: JACS Au 2, 1134-1143 (2022); doi:10.1021/jacsau.2c00139

van Alten, R. S., P.A. Wieser, M. Finger, J. Abbenseth, S. Demeshko, C. Wurtele, I. Siewert, S. Schneider: Halide Effects in Reductive Splitting of Dinitrogen with Rhenium Pincer Complexes: Inorganic Chemistry 61, 11581–11591 (2022); doi:10.1021/acs.inorgchem.2c00973

Borodin, D., O. Galparsoro, I. Rahinov, J. Fingerhut, M. Schwarzer, S. Horandl, D.J. Auerbach, A. Kandratsenka, D. Schwarzer, T.N. Kitsopoulos, A.M. Wodtke: Steric Hindrance of NH3 Diffusion on Pt(111) by Co-Adsorbed O: Journal of the American Chemical Society 144, 21791–21799 (2022); doi:10.1021/jacs.2c10458

Hertl, N., K. Kruger, O. Bünermann: Electronically nonadiabatic H atom scattering from low Miller index surfaces of silver: Langmuir 38, 14162-14171 (2022); doi:10.1021/acs.langmuir.2c02140

Weber, M.L., G. Lole, A. Kormanyos, A. Schwiers, L. Heymann, F.D. Speck, T. Meyer, R. Dittmann, S. Cherevko, C. Jooss, C. Baeumer, F.. Gunkel: Atomistic insights into activation and degradation of La0.6Sr0.4CoO3-delta electrocatalysts under oxygen evolution conditions: Journal of the American Chemical Society 144, 17966-17979  (2022); doi:10.1021/jacs.2c07226

Vollheyde, K., K. Kuehnel, F. Lambrecht, S. Kawelke, C. Herrfurth, I. Feussner: Crystal structure of the bifunctional wax synthase 1 from acinetobacter baylyi suggests a conformational change upon substrate binding and formation of additional substrate binding sites: ACS Catalysis 12, 9753-9765  (2022); doi:10.1021/acscatal.2c01712

Schwarzer, M., N. Hertl, F. Nitz, D. Borodin, J. Fingerhut, T.N. Kitsopoulos, A.M. Wodtke: Adsorption and absorption energies of hydrogen with palladium: Journal of Physical Chemistry C 126, 14500-14508  (2022); doi:10.1021/acs.jpcc.2c04567

Schmitt, D., J.P. Bange, W. Bennecke, A. Al Mutairi, G. Meneghini, K. Watanabe, T. Taniguchi, D. Steil, D.R. Luke, R.T. Weitz, S. Steil, G.S.M. Jansen, S. Brem, E. Malic, S. Hofmann, M. Reutzel, S. Mathias: Formation of moire interlayer excitons in space and time: Nature 608, 499-503  (2022); doi:10.1038/s41586-022-04977-7

Oelschlegel, M., S.A. Hua, L. Schmid, P. Marquetand, A. Back, J.H. Borter, J. Lucken, S. Dechert, O.S. Wenger, I. Siewert, D. Schwarzer, L. Gonzalez, F. Meyer: Luminescent iridium complexes with a sulfurated bipyridine ligand: PCET thermochemistry of the disulfide unit and photophysical properties: Inorganic Chemistry 61, 13944-13955  (2022); doi:10.1021/acs.inorgchem.2c01930

Frey, L., J.F. Pohls, M. Hennemann, A. Mahringer, S. Reuter, T. Clark, R.T. Weitz, D.D. Medina: Oriented thiophene-extended benzotrithiophene covalent organic framework thin films: Directional electrical conductivity: Advanced Functional Materials 32, 2205949  (2022); doi:10.1002/adfm.202205949

Duvel, M., M. Merboldt, J.P. Bange, H. Strauch, M. Stellbrink, K. Pierz, H.W. Schumacher, D. Momeni, D. Steil, G.S.M. Jansen,  S. Steil, D. Novko, S. Mathias, M. Reutzel: Far-from-equilibrium electron-phonon interactions in optically excited graphene: Nano Letters 22, 4897-4904  (2022); doi:10.1021/acs.nanolett.2c01325

Li, A.D., A. M. Reutzel, Z.H. Wang, D. Schmitt, M. Keunecke, W. Bennecke, G.S.M. Jansen, D. Steil, S. Steil, D. Novko, B. Gumhalter, S. Mathias, H. Petek: Multidimensial multiphoton momentum microscopy of the anisotropic Ag(110) surface: Physical Review B  105, 075105  (2022); doi:10.1103/PhysRevB.105.075105

Hertl. N., MA. Kandratsenka, A.M. Wodtke: Effective medium theory for bcc metals: electronically non-adiabatic H atom scattering in full dimensions: Physical Chemistry Chemical Physics 24, 8738-8748 (2022); doi:10.1039/d2cp00087c

Tian, L., C. Borchers, M. Kubota, P. Sofronis, R. Kirchheim, C.A. Volkert: A study of crack initiation in a low alloy steel: Acta Material 223, 117474 (2022); doi:10.1016/j.actamat.2021.117474

Bhattacharjee, D., P. Subramanian, V. Bothmer, T. Nieves-Chinchilla, and A. Vourlidas: On Modeling ICME Cross-Sections as Static MHD Columns: Solar Physics 297, 45 (2022); doi:10.1007/s11207-022-01982-x

Dorst, A.C., F. Güthoff, D. Schauermann, A.M. Wodtke, D.R. Killelea, and T. Schäfer: Velocity map images of desorbing oxygen from sub-surface states of Rh(111): Physical Chemistry Chemical Physics 24, 26421-26427 (2022); doi:10.1039/d2cp03369k

2021

Brinkmeier, A., K.E. Dalle, L. D’Amore, R.A. Schulz, S. Dechert, S. Demeshko, M. Swart, and F. Meyer: Modulation of a mu-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ion: Journal of the American Chemical Society 143,  17751-17760 (2021); doi:10.1021/jacs.1c08645

Borodin, D., M. Schwarzer, H.W. Hahn, J. Fingerhut, Y.Q. Wang, D.J. Auerbach, H. Guo, J. Schroeder, T.N. Kitsopoulos, A.M. Wodtke: The puzzle of rapid hydrogen oxidation on Pt(111): Journal Molecular Physics 119, e1966533 (2021); doi:10.1080/00268976.2021.1966533

Borodin, D., I. Rahinov, O. Galparsoro, J. Fingerhut, M. Schwarzer, K. Golibrzuch, G. Skoulatakis, D.J. Auerbach, A. Kandratsenka, D. Schwarzer, T.N. Kitsopoulos, A.M. Wodtke: Kinetics of NH3 Desorption and Diffusion on Pt: Implications for the Ostwald Process: Journal of the American Chemical Society 143, 18305-18316 (2021); doi:10.1021/jacs.1c09269

Vollheyde, K., J.B.E. Hornung, C. Herrfurth, T. Ischebeck, I. Feussner: Plastidial wax ester biosynthesis as a tool to synthesize shorter and more saturated wax esters: Biotechnology for Biofuels 14, 238 (2021); doi:10.1186/s13068-021-02062-1

Eckhoff, M., J. Behler: High-dimensional neural network potentials for magnetic systems using spin-dependent atom-centered symmetry functions: NPJ Computational Materials 7, 170 (2021); doi:10.1038/s41524-021-00636-z

Eckhoff, M., J. Behler: Insights into lithium manganese oxide-water interfaces using machine learning potentials: Journal of Chemical Physics  155, 244703 (2021); doi:10.1063/5.0073449

Fingerhut, J., D. Borodin, M. Schwarzer, G. Skoulatakis, D.J. Auerbach, A.M. Wodtke, T.N. Kitsopoulos: The Barrier for CO2 Functionalization to Formate on Hydrogenated Pt:  The Journal of Physical Chemistry A  125, 7396 (2021); doi:10.1021/acs.jpca.1c04833

Li, M., S.K. Gupta, S. Dechert, S. Demeshko, F. Meyer: Merging Pincer Motifs and Potential Metal–Metal Cooperativity in Cobalt Dinitrogen Chemistry: Efficient Catalytic Silylation of N2 to N(SiMe3)3: Angewandte Chemie Intern. Edition 60, 14480 (2021); doi:10.1002/anie.202101387

Lecroart, L., N. Hertl, Y. Dorenkamp, H.Y. Jiang, T.N. Kitsopoulis, A. Kandratsenka, O. Bünermann, A.M. Wodtke: Adsorbate modification of electronic nonadiabaticity: H atom scattering from p(2 × 2) O on Pt(111): The Journal of Chemical Physics 155, 34702 (2021); doi:10.1063/5.0058789

Moeller, C., H. Probst, J. Otto, K. Stroh, C. Mahn, S. Steil, V. Moshnyaga, G.S.M. Jansen, S. Matthijs, D. Steil, S. Mathias: Ultrafast element-resolved magneto-optics using a fiber-laser-driven extreme ultraviolet light source: AIP Review of Scientific Instruments 92, 65107 (2021); doi:10.1063/5.0050883

Haag, F., T. Eul, L. Grad, N. Haag, J. Knippertz, S. Mathias, M. Cinchetti, M. Aeschlimann, B. Stadtmüller: Momentum and energy dissipation of hot electrons in a Pb/Ag(111) quantum well system: S Physical Rerview 104, 104308 (2021); doi:10.1103/PhysRevB.104.104308

Borodin, D., I. Rahinov, J. Fingerhut, M. Schwarzer, S. Horandl, G. Skoulatakis, D. Schwarzer, T.N. Kitsopoulos, A.M. Wodtke: NO Binding Energies to and Diffusion Barrier on Pd Obtained with Velocity-Resolved Kinetics. ACS Publications 125, 11773 (2021); doi:10.1021/acs.jpcc.1c02965

Brinkmeier, A., R.A. Schulz, M. Buchhorn, C.J. Spyra, S. Dechert, S. Demeshko, V. Krewald, F. Meyer: Structurally Characterized mu-1,2-Peroxo/Superoxo Dicopper(II) Pair. ACS Publications 143, 10361 (2021); doi:10.1021/jacs.1c04316

Weinreich, J., M.L. Paleico, J. Behler: Properties of alpha-Brass Nanoparticles II: Structure and Composition: Review of Scientific Instruments 125, 14897 (2021); doi:10.1021/acs.jpcc.1c02314

Wang, Y.C., J. Ding, Z. Fan, L. Tian, M. Li, HH. Lu, YQ. Zhang, E. Ma, J. Li, ZW. Shan: Tension-compression asymmetry in amorphous silicon. Nature Materials  20, 1371 (2021); doi:10.1038/s41563-021-01017-z

Biermann, U., U.T. Bornscheuer, I. Feussner, M.A.R. Meier, J.O. Metzger: Fatty Acids and their Derivatives as Renewable Platform Molecules for the Chemical Industry. Angewandte Chemie International Edition  60, 20144 (2021); doi:10.1002/anie.202100778

Hua, S.A., L.A. Paul,  M. Oelschlegel, S. Dechert, F. Meyer, I. Siewert: A Bioinspired Disulfide/Dithiol Redox Switch in a Rhenium Complex as Proton, H Atom, and Hydride Transfer Reagent. Journal of the American Chemical Society 143, 6238 (2021); doi:10.1021/jacs.1c01763

Bünermann, O., A. Kandratsenka, A.M. Wodtke: Inelastic Scattering of H Atoms from Surfaces. Journal of Physical Chemistry A 125, 3059 (2021); doi:10.1021/acs.jpca.1c00361

Zimara, J., H. Stevens, R. Oswald, S. Demeshko, S. Dechert, R.A. Mata, F. Meyer, D. Schwarzer: Time-Resolved Spectroscopy of Photoinduced Electron Transfer in Dinuclear and Tetranuclear Fe/Co Prussian Blue Analogues. Inorganic Chemistry 60, 449 (2021); doi:10.1021/acs.inorgchem.0c03249

Weber, N. A., H. Schmidt, T. Sievert, C. Jooss, F. Güthoff, V. Moshneaga, K. Samwer, M. Krüger, C.A. Volkert: Polaronic Contributions to Friction in a Manganite Thin Film. Advanced Science 6, 2003524 (2021); doi:10.1002/advs.202003524

Lau, J. A., L. Chen, A. Choudhury, D. Schwarzer, V.B. Verma, A.M. Wodtke: Transporting and concentrating vibrational energy to promote isomerization. Nature 589, 391 (2021); doi:10.1038/s41586-020-03081-y

Jiang, H. Y., X.C. Tao, M. Kammler, F.Z. Ding, A.M. Wodtke, A. Kandratsenka, T.F. Miller, O. Bünermann: Small Nuclear Quantum Effects in Scattering of H and D from Graphene. Journal of Physical Chemistry Letters 12, 1991 (2021); doi:10.1021/acs.jpclett.0c02933

Eng, F., J.E. Marin, K. Zienkiewicz, M. Gutierrez-Rojas, E. Favela-Torres, I. Feussner: Jasmonic acid biosynthesis by fungi: derivatives, first evidence on biochemical pathways and culture conditions for production. PeerJ 9, e10873 (2021); doi:10.7717/peerj.10873

Duan, P. C., R.A. Schulz, A. Römer, B.E. Van Kuiken, S. Dechert, S. Demeshko, G.E. Cutsail, S. DeBeer, R.A. Mata, F. Meyer: Ligand Protonation Triggers H-2 Release from a Dinickel Dihydride Complex to Give a Doubly “T”-Shaped Dinickel(I) Metallodiradical. Angewandte Chemie-International Edition 60, 1891 (2021); doi:10.1002/anie.202011494

Tian, L., R.L. Narayan, K. Zhou, R. Babicheva, U. Ramamurty, and Z.W. Shan: A real-time TEM study of the deformation mechanisms in β-Ti reinforced bulk metallic glass composites. Materials Science and Engineering A 818, 141427 (2021); doi:10.1016/j.msea.2021.141427

Wang, Y.C., J. Ding, Z. Fan, L. Tian, M. Li, H.H. Lu, Y.Q. Zhang, E. Ma, J. Li, and Z.W. Shan: Tension-compression asymmetry in amorphous silicon. Nature Materials 20, 1371 (2021); doi:10.1038/s41563-021-01017-z

2020

Wille, S., H.Y. Jiang, O. Bünermann, A.M. Wodtke, J. Behler, A. Kandratsenka: An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality. Physical Chemistry Chemical Physics 22, 26113 (2020); doi:10.1039/d0cp03462b

Steil, D., J. Walowski, J., F. Gerhard, T. Kiessling, D. Ebke, A. Thomas, T. Kubota, M. Oogane, Y. Ando, J. Otto, A. Mann, M. Hofherr, P. Elliott, J.K. Dewhurst, G. Reiss, L. Molenkamp, M. Aeschlimann, M. Cinchetti, M. Münzenberg, S. Sharma, S. Mathias: Efficiency of ultrafast optically induced spin transfer in Hensler compounds. Physical Review Research 2, 023199 (2020); doi:10.1103/PhysRevResearch.2.023199

Schmidt, H., J.O. Krisponeit, N. Weber, K. Samwer, C.A. Volkert: Switching friction at a manganite surface using electric fields. Physical Review Materials 4, 113610 (2020); doi:10.1103/PhysRevMaterials.4.113610

Maier, T. M., M. Gawron, P. Coburger, M. Bodensteiner, R. Wolf, N.P. van Leest, B. de Bruin, S. Demeshko, F. Meyer: Low-Valence Anionic alpha-Diimine Iron Complexes: Synthesis, Characterization, and Catalytic Hydroboration Studies. Inorganic Chemistry 59, 16035 (2020); doi:10.1021/acs.inorgchem.0c02606

Lücken, J., T. Auth, S.I. Mozzi, F. Meyer: Hexanuclear Copper(I) Hydride from the Reduction-Induced Decarboxylation of a Dicopper(II) Formate. Inorganic Chemistry 59, 14347 (2020); doi:10.1021/acs.inorgchem.0c02126

Lole, G., V. Roddatis, U. Ross, M. Risch, T. Meyer, L. Rump, J. Geppert, G. Wartner, P. Blöchl, C. Jooss: Dynamic observation of manganese adatom mobility at perovskite oxide catalyst interfaces with water. Communications Materials 1, 68 (2020); doi:10.1038/s43246-020-00070-6

Borodin, D., K. Golibrzuch, M. Schwarzer, J. Fingerhut, G. Skoulatakis, D. Schwarzer, T. Seelemann, T. Kitsopoulos, A.M. Wodtke: Measuring Transient Reaction Rates from Nonstationary Catalysts. ACS Catalysis 10, 14056 (2020); doi:10.1021/acscatal.0c03773

Bordo, E., O. Kfir, S. Zayko, O. Neufeld, A. Fleischer, C. Ropers, O. Cohen: Interlocked attosecond pulse trains in slightly bi-elliptical high harmonic generation. Journal of Physics-Photonics 2, 034005 (2020); doi:10.1088/2515-7647/ab8a5c

Ronge, E., S. Hildebrandt, M-L. Grutza, H. Klein, P. Kurz, C. Jooss: Structure of Nanocrystalline, Partially Disordered MoS2+delta Derived from HRTEM-An Abundant Material for Efficient HER Catalysis. Catalysts 10, 856
(2020); doi:10.3390/catal10080856

Paleico, M. L., J. Behler: Global optimization of copper clusters at the ZnO(1010) surface using a DFT-based neural network potential and genetic algorithms. Journal of Chemical Physics 153, 054704 (2020); doi:10.1063/5.0014876

Borodin, D., I. Rahinov, P.R. Shirhatti, M. Huang, A. Kandratsenka, D.J. Auerbach, T.L. Zhong, H. Guo, D. Schwarzer, T.N. Kitsopoulos, A.M. Wodtke: Following the microscopic pathway to adsorption through chemisorption and physisorption wells. Science 369, 1461-1465 (2020); doi:10.1126/science.abc9581

Rajabi, S., F. Ebrahimi, G. Lole, J. Odrobina, S. Dechert, C. Jooss, F. Meyer: Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors. ACS Catalysis 10, 10614-10626 (2020); doi:10.1021/acscatal.0c01577

Lau, J. A., A.M. Schonemann, D. Schwarzer, A.M. Wodtke: The coverage dependence of the infrared absorption of CO adsorbed to NaCl(100). Journal of Chemical Physics 153, 154703 (2020); doi:10.1063/5.0025799

Geweke, J., A.M. Wodtke: Vibrationally inelastic scattering of HCl from Ag(111). Journal of Chemical Physics 153, 164703 (2020); doi:10.1063/5.0026228

Eckhoff, M., K.N. Lausch, P.E. Blochl, J. Behler: Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels. Journal of Chemical Physics 153, 164107 (2020); doi:10.1063/5.0021452

Emmerich, S., S. Hedwig, B. Arnoldi, J. Stockl, F. Haag, R. Hemm, M. Cinchetti, S. Mathias, B. Stadtmuller, M. Aeschlimann: Ultrafast Charge-Transfer Exciton Dynamics in C-60 Thin Films. Journal of Physical Chemistry C 124, 23579-23587 (2020); doi:10.1021/acs.jpcc.0c08011

Galparsoro, O., S. Kaufmann, D.J. Auerbach, A. Kandratsenka, A.M. Wodtke: 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, 17532-17539 (2020); doi:10.1039/d0cp02858d

Wilken, M., I. Siewert: Electrocatalytic Hydrogen Production with a Molecular Cobalt Complex in Aqueous Solution. Chemelectrochem 7, 217-221 (2020); doi:10.1002/celc.201901913

Zienkiewicz, A., K. Zienkiewicz, E. Poliner, J.A. Pulman, Z.Y. Du, G. Stefano, C.H. Tsai, P. Horn, I. Feussner, E.M. Farre, K.L. Childs, F. Brandizzi, C. Benning: The Microalga Nannochloropsis during Transition from Quiescence to Autotrophy in Response to Nitrogen Availability. Plant Physiology 182, 819-839 (2020); doi:10.1104/pp.19.00854

van Alten, R.S., F. Watjen, S. Demeshko, A.J.M. Miller, C. Wurtele, I. Siewert, S. Schneider: (Electro-)chemical Splitting of Dinitrogen with a Rhenium Pincer Complex. European Journal of Inorganic Chemistry (2020); doi:10.1002/ejic.201901278

Lau, J.A., A. Choudhury, C. Li, D. Schwarzer, V.B. Verma, A.M. Wodtke: Observation of an isomerizing double-well quantum system in the condensed phase. Science 367, 175-+ (2020); doi:10.1126/science.aaz3407

Paleico, M.L., J. Behler: A flexible and adaptive grid algorithm for global optimization utilizing basin hopping Monte Carlo. Journal of Chemical Physics 152, 094109 (2020); doi:10.1063/1.5142363

Zayko, S., O. Kfir, E. Bordo, A. Fleischer, O. Cohen, C. Ropers: A dynamical symmetry triad in high-harmonic generation revealed by attosecond recollision control. New Journal of Physics 22, 053017 (2020); doi:10.1088/1367-2630/ab82bd

Eckhoff, M., P.E. Blochl, J. Behler: Hybrid density functional theory benchmark study on lithium manganese oxides. Physical Reveiw B 101, 205113 (2020); doi:10.1103/PhysRevB.101.205113

Weinreich, J., A. Romer, M.L. Paleico, J. Behler: Properties of alpha-Brass Nanoparticles. 1. Neural Network Potential Energy Surface. Journal of Physical Chemistry C 124, 12682-12695 (2020); doi:10.1021/acs.jpcc.0c00559

Erichsen, T., B. Pfeiffer, V. Roddatis, C.A. Volkert: Tracking the Diffusion-Controlled Lithiation Reaction of LiMn2O4 by In Situ TEM. ACS Applied Energy Materials 3, 5405-5414 (2020); doi:10.1021/acsaem.0c00380

Paul, L.A., S. Rajabi, C. Jooss, F. Meyer, F. Ebrahimi, I. Siewert: A dinuclear rhenium complex in the electrochemically driven homogeneous and heterogeneous H+/CO2-reduction. Dalton Transactions 49, 8367-8374 (2020); doi:10.1039/d0dt00381f

Gerrits, N., J. Geweke, E.W.F. Smeets, J. Voss, A.M. Wodtke, G.J. Kroes: Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111). Journal of Physical Chemistry C 124, 15944-15960 (2020); doi:10.1021/acs.jpcc.0c03756

Paleico, M.L., J. Behler: Global optimization of copper clusters at the ZnO(1010) surface using a DFT-based neural network potential and genetic algorithms. Journal of Chemical Physics 153, 054704 (2020); doi:10.1063/5.0014876

Kurtz, F., C. Ropers, G. Herink: Resonant excitation and all-optical switching of femtosecond soliton molecules. Nature Photonics 14, 9-13 (2020); doi:10.1038/s41566-019-0530-3

Park, G.B., T.N. Kitsopoulos, D. Borodin, K. Golibrzuch, J. Neugebohren, D.J. Auerbach, C.T. Campbell, A.M. Wodtke: The kinetics of elementary thermal reactions in heterogeneous catalysis. Nature Reviews Chemistry 3, 723-732 (2019); doi:10.1038/s41570-019-0138-7

Ostermann, N., I. Siewert: Electrochemical N-2 splitting at well-defined metal complexes. Current Opinion in Electrochemistry 15, 97-101 (2019); doi:10.1016/j.coelec.2019.04.024

Kumar, S., H. Jiang, M. Schwarzer, A. Kandratsenka, D. Schwarzer, A.M. Wodtke: Vibrational Relaxation Lifetime of a Physisorbed Molecule at a Metal Surface. Physical Review Letters 123, 156101 (2019); doi:10.1103/PhysRevLett.123.156101

Park, G.B., B.C. Krüger, D. Borodin, T.N. Kitsopoulos, A.M. Wodtke: Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces. Reports on Progress in Physics 82, 096401 (2019); doi:10.1088/1361-6633/ab320e

Fokin, I., A. Denisiuk, C. Wurtele, I. Siewert: The Impact of a Proton Relay in Binuclear alpha-Diimine-Mn(CO)(3) Complexes on the CO2 Reduction Catalysis. Inorganic Chemistry 58, 10444-10453 (2019); doi:10.1021/acs.inorgchem.9b00992

Krüger, B.C., T. Schäfer, A.M. Wodtke, G.B. Park: Quantum-state resolved lifetime of triplet ((a)over-tilde(3)A(2)) formaldehyde. Journal of Molecular Spectroscopy 362, 61-68 (2019); doi:10.1016/j.jms.2019.06.001

Harding, D.J., M.D. Bongers, S. Wagner, H. Hahn, J. Neugebohren, T.N. Kitsopoulos, A.M. Wodtke, A. Pundt: Probing the Effect of Surface Strain on CO Binding to Pd Thin Films. Journal of Physical Chemistry C 123, 12255-12260 (2019); doi:10.1021/acs.jpcc.9b01435

Jiang, H., Y. Dorenkamp, K. Krüger, O. Bünermann: Inelastic H and D atom scattering from Au(111) as benchmark for theory. Journal of Chemical Physics 150, 184704 (2019); doi:10.1063/1.5094693

Jiang, H., M. Kammler, F. Ding, Y. Dorenkamp, F.R. Manby, A.M. Wodtke, T.F.  Miller, A. Kandratsenka, O. Bünermann: Imaging covalent bond formation by H atom scattering from graphenere. Science 364, 379-+ (2019); doi:10.1126/science.aaw6378

Du, J.-P., A. Wilting, I. Siewert: Are Two Metal Ions Better than One? Mono- and Binuclear alpha-Diimine-Re(CO)(3) Complexes with Proton-Responsive Ligands in CO2 Reduction Catalysis. Chemistry-A European Journal 25, 5555-5564 (2019); doi:10.1002/chem.201806398

Stadtmüller, B. S. Emmerich, D. Jungkenn, N. Haag, M. Rollinger, S. Eich, M. Maniraj, M. Aeschlimann, M. Cinchetti, S. Mathias: Strong modification of the transport level alignment in organic materials after optical excitation. Nature Communications 10, 1470 (2019); doi:10.1038/s41467-019-09136-7

Lau, J.A., I. Calvo-Almazán, P.S.M. Townsend, D.J. Ward, A.P. Jardine, W. Allison, J. Ellis, B.J. Hinch, and N. Avidor: Structural Evolution of a Cyclooctatetraene Adlayer on Cu(111) during Isothermal Desorption. Journal Physical Chemistry C 122, 8941-8945 (2018); doi:10.1021/acs.jpcc.8b00482

Wang, N., T. Fricke-Begemann, P. Peretzki, J. Ihlemann, and M. Seibt: Formation of porous silicon oxide from substrate-bound silicon rich silicon oxide layers by continuous-wave laser irradiation. Journal of Applied Physics 123, 093104 (2018); doi:10.1063/1.5019404

Zhu, L.H., F. Krens, M.A. Smith, X. Li, W. Qi, E.N. van Loo, T. Iven, I. Feussner, T.J. Nazarenus, D. Huai, D.C. Taylor, X.-R. Zhou, A.G. Green, J. Shockey, K.T. Klasson, R.T. Mullen, B. Huang, J.M. Dyer, E.B. Cahoon: Dedicated Industrial Oilseed Crops as Metabolic Engineering Platforms for Sustainable Industrial Feedstock Productioninal. Scientific Reports 6, 22181 (2016); doi:10.1038/srep22181