Publications of Klaus Hermann

Journal Article (108)

2024
Journal Article
K. Hermann: Nanoparticles with cubic symmetry: classification of polyhedral shapes. Journal of Physics: Condensed Matter 36 (4), 045303 (2024).
2022
Journal Article
K. Hermann: Structure of Polyhedral Nanoparticles with Cubic Lattice: Theoretical Analysis. International Journal of Nanoscience 21 (3), 2250010 (2022).
2020
Journal Article
L. Masliuk, F. Schmidt, W. Hetaba, M. Plodinec, G. Auffermann, K. Hermann, D. Teschner, F. Girgsdies, A. Trunschke, R. Schlögl and T. Lunkenbein: Compositional Decoupling of Bulk and Surface in Open Structured Complex Mixed Oxides. The Journal of Physical Chemistry C 124 (42), 23069–23077 (2020).
2019
Journal Article
K.C.-F. Leung, X.-B. Li, X. Li, S.-F. Lee, J.C. Yu, P.M. Mendes, K. Hermann and M.A.V. Hove: Soft nanohand grabs a growing nanoparticle. Materials Chemistry Frontiers 3 (8), 1555–1564 (2019).
2018
Journal Article
K. Hermann, F. Qi, R. Zhao, R.-Q. Zhang and M.A. Van Hove: Fragment Motion in Motor Molecules: Basic Concepts and Application to Intra-Molecular Rotations. Physical Chemistry Chemical Physics 20 (33), 21487–21497 (2018).
Journal Article
R. Zhao, F. Qi, Y.-L. Zhao, K. Hermann, R.-Q. Zhang and M.A. Van Hove: Interlocking Molecular Gear Chains Built on Surfaces. The Journal of Physical Chemistry Letters 9 (10), 2611–2619 (2018).
Journal Article
R. Zhao, Y.-L. Zhao, F. Qi, K. Hermann, R.-Q. Zhang and M.A. Van Hove: Interlocking Mechanism between Molecular Gears Attached to Surfaces. ACS Nano 12 (3), 3020–3029 (2018).
2017
Journal Article
H. Fan, X. Huang, K. Kähler, J. Folke, F. Girgsdies, D. Teschner, Y. Ding, K. Hermann, R. Schlögl and E. Frei: In-Situ Formation of Fe Nanoparticles from FeOOH Nanosheets on y‑Al2O3 as Efficient Catalysts for Ammonia Synthesis. ACS Sustainable Chemistry & Engineering 5 (11), 10900–10909 (2017).
Journal Article
L. Masliuk, M. Heggen, J. Noack, F. Girgsdies, A. Trunschke, K. Hermann, M.G. Willinger, R. Schlögl and T. Lunkenbein: Structural Complexity in Heterogeneous Catalysis: Cataloging Local Nanostructures. The Journal of Physical Chemistry C 121 (43), 24093–24103 (2017).
Journal Article
R. Püttner, P.M. Schmidt-Weber, T. Kampen, C. Kolczewski, K. Hermann and K. Horn: 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, 16–21 (2017).
2016
Journal Article
R.-Q. Zhang, Y.-L. Zhao, F. Qi, K. Hermann and M.A. Van Hove: Intramolecular torque, an indicator of the internal rotation direction of rotor molecules and similar systems. Physical Chemistry Chemical Physics 18 (43), 29665–29672 (2016).
Journal Article
M. Klues, P. Jerabek, T. Breuer, M. Oehzelt, K. Hermann, R. Berger and G. Witte: Understanding the F 1s NEXAFS Dichroism in Fluorinated Organic Semiconductors. The Journal of Physical Chemistry C 120 (23), 12693–12705 (2016).
Journal Article
Y.-L. Zhao, R.-Q. Zhang, M. Minot, K. Hermann and M.A. Van Hove: Computational prediction of optimal metal ions to induce coordinated polymerization of muscle-like [c2]daisy chains. Physical Chemistry Chemical Physics 18 (10), 7419–7426 (2016).
2015
Journal Article
Y.-L. Zhao, R. Zhang, C. Minot, K. Hermann and M.A.V. Hove: 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), 18318–18326 (2015).
Journal Article
R. Arrigo, M.E. Schuster, Z. Xie, Y. Yi, G. Wowsnick, L. Sun, K. Hermann, M. Friedrich, P. Kast, M. Hävecker, A. Knop-Gericke and R. Schlögl: Nature of the N-Pd Interaction in Nitrogen-Doped Carbon Nanotube Catalysts. ACS Catalysis 5 (5), 2740–2753 (2015).
2014
Journal Article
C. Guo, K. Hermann and Y. Zhao: Dynamics and Energetics of Reconstruction at the Si(100) Surface. The Journal of Physical Chemistry C 118 (44), 25614–25619 (2014).
Journal Article
L. Sun, K. Hermann, J. Noack, O. Timpe, D. Teschner, M. Hävecker, A. Trunschke and R. Schlögl: 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), 24611–24622 (2014).
Journal Article
T.R. Umbach, M. Bernien, C.F. Hermanns, L. Sun, H. Mohrmann, K. Hermann, A. Krüger, N. Krane, Z. Yang, F. Nickel, Y.-M. Chang, K.J. Franke, J.I. Pascual and W. Kuch: 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).
Journal Article
M. Klues, K. Hermann and G. Witte: 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).
2013
Journal Article
M. Gruber and K. Hermann: 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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