Publications of Klaus Hermann

Journal Article (107)

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Hermann, K.: Structure of Polyhedral Nanoparticles with Cubic Lattice: Theoretical Analysis. International Journal of Nanoscience (2022)
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Masliuk, L.; Schmidt, F.; Hetaba, W.; Plodinec, M.; Auffermann, G.; Hermann, K.; Teschner, D.; Girgsdies, F.; Trunschke, A.; Schlögl, R. et al.; Lunkenbein, T.: Compositional Decoupling of Bulk and Surface in Open Structured Complex Mixed Oxides. The Journal of Physical Chemistry C 124 (42), pp. 23069 - 23077 (2020)
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Leung, K. C.-F.; Li, X.-B.; Li, X.; Lee, S.-F.; Yu, J. C.; Mendes, P. M.; Hermann, K.; Hove, M. A. V.: Soft nanohand grabs a growing nanoparticle. Materials Chemistry Frontiers 3 (8), pp. 1555 - 1564 (2019)
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Hermann, K.; Qi, F.; Zhao, R.; Zhang, R.-Q.; Van Hove, M. A.: Fragment Motion in Motor Molecules: Basic Concepts and Application to Intra-Molecular Rotations. Physical Chemistry Chemical Physics 20 (33), pp. 21487 - 21497 (2018)
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Zhao, R.; Qi, F.; Zhao, Y.-L.; Hermann, K.; Zhang, R.-Q.; Van Hove, M. A.: Interlocking Molecular Gear Chains Built on Surfaces. The Journal of Physical Chemistry Letters 9 (10), pp. 2611 - 2619 (2018)
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Zhao, R.; Zhao, Y.-L.; Qi, F.; Hermann, K.; Zhang, R.-Q.; Van Hove, M. A.: Interlocking Mechanism between Molecular Gears Attached to Surfaces. ACS Nano 12 (3), pp. 3020 - 3029 (2018)
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Fan, H.; Huang, X.; Kähler, K.; Folke, J.; Girgsdies, F.; Teschner, D.; Ding, Y.; Hermann, K.; Schlögl, R.; Frei, E.: In-Situ Formation of Fe Nanoparticles from FeOOH Nanosheets on y‑Al2O3 as Efficient Catalysts for Ammonia Synthesis. ACS Sustainable Chemistry & Engineering 5 (11), pp. 10900 - 10909 (2017)
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Masliuk, L.; Heggen, M.; Noack, J.; Girgsdies, F.; Trunschke, A.; Hermann, K.; Willinger, M. G.; Schlögl, R.; Lunkenbein, T.: Structural Complexity in Heterogeneous Catalysis: Cataloging Local Nanostructures. The Journal of Physical Chemistry C 121 (43), pp. 24093 - 24103 (2017)
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Püttner, R.; Schmidt-Weber, P. M.; Kampen, T.; Kolczewski, C.; Hermann, K.; Horn, K.: Identification of isomers in the gas phase and as adsorbates by near-edge X-ray absorption fine structure spectroscopy: Cis- and trans-stilbene. Journal of Electron Spectroscopy and Related Phenomena 215, pp. 16 - 21 (2017)
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Zhang, R.-Q.; Zhao, Y.-L.; Qi, F.; Hermann, K.; Van Hove, M. A.: Intramolecular torque, an indicator of the internal rotation direction of rotor molecules and similar systems. Physical Chemistry Chemical Physics 18 (43), pp. 29665 - 29672 (2016)
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Klues, M.; Jerabek, P.; Breuer, T.; Oehzelt, M.; Hermann, K.; Berger, R.; Witte, G.: Understanding the F 1s NEXAFS Dichroism in Fluorinated Organic Semiconductors. The Journal of Physical Chemistry C 120 (23), pp. 12693 - 12705 (2016)
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Zhao, Y.-L.; Zhang, R.-Q.; Minot, M.; Hermann, K.; Van Hove, M. A.: Computational prediction of optimal metal ions to induce coordinated polymerization of muscle-like [c2]daisy chains. Physical Chemistry Chemical Physics 18 (10), pp. 7419 - 7426 (2016)
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Zhao, Y.-L.; Zhang, R.; Minot, C.; Hermann, K.; Hove, M. A. V.: Revealing highly unbalanced energy barriers in the extension and contraction of the muscle-like motion of a [c2]daisy chain. Physical Chemistry Chemical Physics 17 (18), pp. 18318 - 18326 (2015)
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Arrigo, R.; Schuster, M. E.; Xie, Z.; Yi, Y.; Wowsnick, G.; Sun, L.; Hermann, K.; Friedrich, M.; Kast, P.; Hävecker, M. et al.; Knop-Gericke, A.; Schlögl, R.: Nature of the N-Pd Interaction in Nitrogen-Doped Carbon Nanotube Catalysts. ACS Catalysis 5 (5), pp. 2740 - 2753 (2015)
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Guo, C.; Hermann, K.; Zhao, Y.: Dynamics and Energetics of Reconstruction at the Si(100) Surface. The Journal of Physical Chemistry C 118 (44), pp. 25614 - 25619 (2014)
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Sun, L.; Hermann, K.; Noack, J.; Timpe, O.; Teschner, D.; Hävecker, M.; Trunschke, A.; Schlögl, R.: DFT Studies and Experiments on Biocatalytic Centers: Structure, Vibrations, and Core Excitations of the K[VO(O2)Hheida] Complex. The Journal of Physical Chemistry C 118 (42), pp. 24611 - 24622 (2014)
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Umbach, T. R.; Bernien, M.; Hermanns, C. F.; Sun, L.; Mohrmann, H.; Hermann, K.; Krüger, A.; Krane, N.; Yang, Z.; Nickel, F. et al.; Chang, Y.-M.; Franke, K. J.; Pascual, J. I.; Kuch, W.: Site-specific bonding of copper adatoms to pyridine end groups mediating the formation of two-dimensional coordination networks on metal surfaces. Physical Review B 89 (23), 235409 (2014)
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Klues, M.; Hermann, K.; Witte, G.: Analysis of the near-edge X-ray-absorption fine-structure of anthracene: A combined theoretical and experimental study. The Journal of Chemical Physics 140 (1), 014302 (2014)
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Gruber, M.; Hermann, K.: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reaction paths and energetics at vanadium oxide substrate. The Journal of Chemical Physics 139 (24), 244701 (2013)
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Amakawa, K.; Sun, L.; Guo, C.; Hävecker, M.; Kube, P.; Wachs, I. E.; Lwin, S.; Frenkel, A. I.; Patlolla, A.; Hermann, K. et al.; Schlögl, R.; Trunschke, A.: How Strain Affects the Reactivity of Surface Metal Oxide Catalysts. Angewandte Chemie International Edition 52 (51), pp. 13553 - 13557 (2013)
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