2023

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

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

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

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

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