TU Dresden » ... » Chemie und Lebensmittelchemie » Physikalische Chemie und Elektrochemie » Arbeitsgruppe für Theoretische Chemie » Dr. Jan-Ole Joswig

List of Publications

Submitted, accepted, in press

  • Alkyne hydrogenation via phosphonium zwitterionic intermediate catalyzed by gold nanoparticles,
    J. L. Fiorio, D. K. Kimie, J.-O. Joswig, L. M. Rossi
    submitted.

Peer-reviewed publications

  1. Precise structure and energy of group 6 transition metal dichalcogenide homo- and heterobilayers in high-symmetry configurations,
    B. Emrem, J.-O. Joswig, T. Heine,
    2D Mater. (2024), 035011.
  2. Adsorption of Xenon, Krypton, and Their Mixture on the Flexible Metal_Organic Framework DUT-8(Ni),
    C. Bachetzky, J. L. Fiorio, M. Maliuta, T. Bode, J.-O. Joswig, I. Senkovska, T. Heine, S. Kaskel, E. Brunner,
    J. Phys. Chem. C 128 (2024), 6997.
  3. Hydrogen Spillover in N-doped Carbon Coating Improves the Hydrogenation Activity of Nickel Catalysts,
    B. H. Arpini, J. L. Fiorio, J. V. Ferreira da Costa, J.-O. Joswig, L. M. Rossi,
    Catal. Sci. Technol. 14 (2024), 1017.
  4. How do Gold-Nanocrystal Surface Facets Affect Their Electrocatalytic Activities and The Benzocaine-Oxidation Mechanism?,
    J. Rozendo, M. A. S. Garcia, S. L. S. Lima, N. Tasic, B. Emrem, J. L. Fiorio, G. Solorzano, A. H. B. Dourado, L. M. Gonçalves, T. R. L. C. Paixão, J.-O. Joswig, A. G. M. da Silva, P. Vidinha,
    Surf. Interf. 41 (2023), 103282.
  5. Understanding MOF flexibility: A model-system focused analysis,
    I. Senkovska, V. Bon, L. Abylgazina, M. Mendt, J. Berger, G. Kieslich, P. Petkov, J. L. Fiorio, J.-O. Joswig, T. Heine, L. Schaper, C. Bachetzky, R. Schmid, R. A. Fischer, A. Pöppl, E. Brunner, S. Kaskel
    Ang. Chem. (2023), e202218076/1-47,
    Ang. Chem. Int. Ed. (2023) e202218076/1-47.
  6. Isotope-selective pore-opening in a flexible metal-organic framework,
    L. Bondorf, J. L. Fiorio, V. Bon, L. Zhang, M. Maliuta, S. Ehrling, I. Senkovska, J. D. Evans, J.-O. Joswig, S. Kaskel, T. Heine, M. Hirscher
    Sci. Adv. (2022), eabn7035.
  7. Closed-loop defect states in 2D materials with honeycomb lattice structure - molybdenum disulfide,
    A. Niebur, J.-O. Joswig, G. Seifert, T. Lorenz, S. Gemming, M. Schreiber
    Phys. Status Solidi B 2021 (2021), 2100214/1-9.
  8. Lab@Home: Individualisierte Computerpraktika,
    F. M. Arnold, J.-O. Joswig
    Lessons Learned, 1 (2021), 1/2.26.
  9. Localization of edge states at triangular defects in periodic MoS2 monolayers,
    A. Niebur, T. Lorenz, M. Schreiber, G. Seifert, S. Gemming, J.-O. Joswig
    Phys. Rev. Materials 5 (2021), 064001.
  10. Exploring the effects of quantum decoherence on the excited-state dynamics of molecular systems,
    E. R. Heller, J.-O. Joswig, G. Seifert
    Theo. Chem. Acc. 140 (2021), 42 (1-13).
  11. Freeze-thaw-promoted fabrication of clean noble metal gels for electrocatalysis and photoelectrocatalysis,
    R. Du, J.-O. Joswig, R. Hübner, X. Fan, L. Zhou, Y. Hu, A. Eychmüller,
    Angew. Chem. Intl. Ed. 132 (2020), 2–10,
    Angew. Chem. 132 (2020), 2–10.
  12. Disturbance-promoted unconventional and rapid fabrication of self-healable noble metal gels for (photo-)electrocatalysis,
    R. Du, J.-O. Joswig, X. Fan, R. Hübner, D. Spittel, Y. Hu, A. Eychmüller,
    Matter 2 (2020), 1-13.
  13. Specific-ion effects directed noble metal aerogels: Versatile manipulation for electrocatalysis and beyond,
    R. Du, Y. Hu, R. Hübner, J.-O. Joswig, X. Fan, K. Schneider, A. Eychmüller,
    Sci. Adv. 5 (5) (2019), eaaw4590.
  14. Diffusion- and reaction-limited cluster aggregation revisited,
    S. Jungblut, J.-O. Joswig, A. Eychmüller,
    Phys. Chem. Chem. Phys. 21 (2019), 5723-5729.
  15. Diffusion-limited cluster aggregation: Impact of rotational diffusion,
    S. Jungblut, J.-O. Joswig, A. Eychmüller,
    J. Phys. Chem. C 123 (2019), 950–954.
  16. Surface-charge dependent orientation of water at the interface of a gold electrode: a cluster study,
    G. Fazio, G. Seifert, M. Rapacioli, N. Tarrat, and J.-O. Joswig,
    Z. Phys. Chem. 232 (2018), 1263-1266.
  17. Two-dimensional phosphorus carbide polymorphs: influence of structural motifs on the band gap,
    E. R. Heller, J.-O. Joswig, T. Lorenz, and G. Seifert,
    Phys. Status Solidi B 255 (2018), 1800192/1-6.
  18. Charge transfer variability in misfit layer compounds: comparison of SnS-SnS2 and LaS-TaS2,
    T. Lorenz, I. A. Baburin, J.-O. Joswig, and G. Seifert,
    Isr. J. Chem. 57 (2017), 553-560.
  19. pH and concentration dependence of the optical properties of thiol-capped CdTe nanocrystals in water and D2O,
    R. Schneider, F. Weigert, V. Lesnyak, S. Leubner, T. Lorenz, T. Behnke, A. Dubavik, J.-O. Joswig, U. Resch-Genger, N. Gaponik, and A. Eychmüller,
    Phys. Chem. Chem. Phys. 18 (2016), 19083-19092.
  20. Detecting and quantifying geometric features in large series of cluster structures,
    J.-O. Joswig, and T. Lorenz,
    Z. Phys. Chem. 230 (2016), 1057-1066.
  21. Tubular structures from the LnS-TaS2 (Ln=La, Ce, Nd, Ho, Er) and LaSe-TaSe2 misfit layered compounds,
    G. Radovsky, R. Popovitz-Biro, T. Lorenz, J.-O. Joswig, G. Seifert, L. Houben, R. E. Dunin-Borkowski, and R. Tenne,
    J. Mater. Chem. C 4 (2016), 89-98.
  22. Effect of surface properties on the microstructure, thermal and colloidal stability of VB2 nanoparticles,
    B. Terlan, A. A. Levin, F. Börrnert, F. Simon, M. Oschatz, M. Schmidt, R. Cardoso-Gil, T. Lorenz, I. Baburin, J.-O. Joswig, A. Eychmüller,
    Chem. Mater. 27 (2015), 5106-5115.
  23. Enhanced proton transfer activity in imidazole@MIL-53(Al) systems,
    E. Eisbein, J.-O. Joswig, G. Seifert,
    Micropor. Mesopor. Mater. 216 (2015), 36-41.
  24. Molecular simulation on carbon dioxide fixation routes towards synthesis of precursors for innovative urethanes,
    V. C. Beber, L. T. Caleiro, K. R. de Aguiar, J.-O. Joswig, U. P. Rodrigues Filho, P.-L. M. Noeske, K. Rischka, and W. L. Cavalcanti,
    Appl. Adh. Sci. 3 (2015), 3/1-11.
  25. Optics, mechanics, and energetics of two-dimensional MoS2 nanostructures from a theoretical perspective,
    J.-O. Joswig, T. Lorenz, T. B. Wendumu, S. Gemming, and G. Seifert,
    Acc. Chem. Res. 48 (2015), 48-55.
  26. Two-dimensional and tubular structures of misfit compounds – structural and electronic properties,
    T. Lorenz, J.-O. Joswig, and G. Seifert,
    Beilstein J. Nanotechnol. 5 (2014), 2171-2178.
  27. Optical properties of triangular molybdenum disulfide nanoflakes,
    T. B. Wendumu, G. Seifert, T. Lorenz, J.-O. Joswig, and A. Enyashin,
    J. Phys. Chem. Lett. 5 (2014), 3636-3640.
  28. Is MoS2 a robust material for 2D electronics?,
    T. Lorenz, M. Ghorbani-Asl, J.-O. Joswig, T. Heine, and G. Seifert,
    Nanotechnology 25 (2014), 445201/1-6.
  29. Tetrahedral amorphous carbon coatings for friction reduction of the valve train in internal combustion engines,
    A. Götze, S. Makowski, T. Kunze, M. Hübner, H. Zellbeck, V. Weihnacht, A. Leson, E. Beyer, J.-O. Joswig, G. Seifert, G. Abrasonis, M. Posselt, J. Fassbender, W. Möller, S. Gemming, M. Krause,
    Adv. Eng. Mater. 16 (2014), 1226-1233.
  30. Proton conduction in a MIL-53(Al) metal-organic framework: confinement vs. host/guest interaction,
    E. Eisbein, J.-O. Joswig, G. Seifert,
    J. Phys. Chem. C 118 (2014), 13035-13041.
  31. Stretching and breaking of monolayer MoS2 – an atomistic simulation,
    T. Lorenz, J.-O. Joswig, and G. Seifert,
    2D Mater. 1 (2014), 011007/1-9.
  32. Combined SnS@SnS2 double layers: charge transfer and electronic structure,
    T. Lorenz, J.-O. Joswig, and G. Seifert,
    Semicond. Sci. Technol. 29 (2014) 064006/1-6.
  33. Photoexcitations in dimers of coumarin and 6-alkylcoumarins,
    J.-O. Joswig, T. Lorenz, and G. Seifert,
    Z. Phys. Chem. 228 (2014), 243-251.
  34. Intramolecular polarization induces electron-hole charge separation in light-harvesting molecular triads,
    L. G. C. Rego, B. C. Hames, K. T. Mazon, and J.-O. Joswig,
    J. Phys. Chem. C 118 (2014), 126-134.
  35. Experimental and theoretical investigations of the ligand structure of water-soluble CdTe nanocrystals,
    S. Leubner, S. Hatami, N. Esendemir, T. Lorenz, J.-O. Joswig, V. Lesnyak, S. Recknagel, N. Gaponik, U. Resch-Genger, and A. Eychmüller,
    Dalton Trans. 42 (2013), 12733-12740.
  36. Theoretical study of the mechanical behavior of individual MoS2 and TiS2 nanotubes,
    T. Lorenz, D. Teich, J.-O. Joswig, and G. Seifert,
    J. Phys. Chem. C 116 (2012), 11714-11721.
  37. Density-functional tight-binding (DFTB) - an approximate DFT method,
    G. Seifert and J.-O. Joswig,
    Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2012), 456-465.
  38. Materials for lithium ion batteries: challenges for numerical simulations,
    S. Leoni, M. Baldoni, L. Craco, J.-O. Joswig, and G. Seifert,
    Z. Phys. Chem. 226 (2012), 95-106.
  39. Electronic-structure calculations of large cadmium chalcogenide nanoparticles,
    J. Frenzel and J.-O. Joswig,
    Phys. Status Solidi B 249 (2012), 284-391.
  40. Optical excitations in CdSe/CdS core-shell nanoparticles,
    J. Frenzel, S. Thieme, G. Seifert, and J.-O. Joswig,
    J. Phys. Chem. C 115 (2011), 10338-10344.
  41. Structural and electronic properties of helical TiS2 nanotubes studied with objective molecular dynamics,
    D. Teich, T. Lorenz, J.-O. Joswig, G. Seifert, D.-B. Zhang, and T. Dumitrica,
    J. Phys. Chem. C 115 (2011), 6392-6396.
  42. Experimental, finite element, and density-functional theory study of inorganic nanotube compression,
    E. Kalfon-Cohen, O. Goldbart, R. Schreiber, S. R. Cohen, D. Barlam, T. Lorenz, J.-O. Joswig, and G. Seifert,
    Appl. Phys. Lett. 98 (2011), 081908/1-3.
    also: Virtual J. Nanoscale Sci. Technology 23/9 (2011).
  43. Preconditioning immobilized imidazole arrays for optimal proton-transfer feasibility,
    W. L. Cavalcanti, D. F. Portaluppi, and J.-O. Joswig,
    J. Chem. Phys. 133 (2010), 104703/1-6.
  44. Single-wall-carbon-nanotube/single-carbon-chain molecular junctions,
    F. Börrnert, C. Börrnert, S. Gorantla, X. Liu, A. Bachmatiuk, J.-O. Joswig, F. R. Wagner, F. Schäffel, J. H. Warner, R. Schönfelder, B. Rellinghaus, T. Gemming, J. Thomas, M. Knupfer, B. Büchner, and M. H. Rümmeli,
    Phys. Rev. B 81 (2010), 085439/1-5.
  45. Aspects of the proton transfer in liquid phosphonic acid,
    J.-O. Joswig and G. Seifert,
    J. Phys. Chem. B 113 (2009), 8475-8480.
  46. The influence of C2 dimers on the stability of TimCn metcar clusters,
    J.-O. Joswig and M. Springborg,
    J. Chem. Phys. 129 (2008), 134311/1-7,
    also: Virtual J. Nanoscale Sci. Technology 18/16 (2008).
  47. Adsorption of phosphonic and ethylphosphonic acid on aluminum oxide surfaces,
    R. Luschtinetz, A. F. Oliveira, J. Frenzel, J.-O. Joswig, G. Seifert, and H. A. Duarte,
    Surf. Sci. 602 (2008), 1347-1359.
  48. Theoretical studies of structural, energetic, and electronic properties of clusters,
    M. Springborg, Y. Dong, V.G. Grigoryan, V. Tevekeliyska, D. Alamanova, E. Kasabova, S. Roy, J.-O. Joswig, and A. M. Asaduzzaman,
    Z. Phys. Chem. 222 (2008), 387-405.
  49. Photo-absorption in sodium clusters on the basis of time-dependent density-functional theory,
    J.-O. Joswig, L.O. Tunturivuori, and R.M. Nieminen,
    J. Chem. Phys. 128 (2008), 014707/1-6.
  50. Optical excitations in cadmium sulfide nanoparticles,
    J. Frenzel, J.-O. Joswig, and G. Seifert,
    J. Phys. Chem. C 111 (2007), 10761-10770.
  51. Properties of the phosphonic-acid molecule and the proton transfer in the phosphonic-acid dimer,
    J.-O. Joswig, S. Hazebroucq, and G. Seifert,
    J. Mol. Struc.: THEOCHEM 816 (2007), 119-123.
  52. Size-dependent structural and electronic properties of Tin clusters (n<100),
    J.-O. Joswig and M. Springborg,
    J. Phys.: Condens. Matter 19 (2007), 106207/1-18.
  53. Compton profiles of hydrated Na+ and F- ions,
    J.-O. Joswig and I. Makkonen,
    Z. Phys. Chem. 220 (2006), 849-857.
  54. The effects of organisation, embedding and surfactants on the properties of cadmium chalcogenide (CdS, CdSe and CdS/CdSe) semiconductor nanoparticles,
    J. Frenzel, J.-O. Joswig, P. Sarkar, G. Seifert, and M. Springborg,
    Eur. J. Inorg. Chem. 2005 (2005), 3585-3596.
  55. A genetic-algorithms search for global minima of aluminum clusters using a Sutton-Chen potential,
    J.-O. Joswig and M. Springborg,
    Phys. Rev. B 68 (2003), 085408/1-9.
  56. Optical properties of cadmiumsulfide clusters,
    J.-O. Joswig, G. Seifert, T.A. Niehaus, and M. Springborg,
    J. Phys. Chem. B 107 (2003), 2897-2902.
  57. Stability and band gap of semiconductor clusters,
    J.-O. Joswig, S. Roy, P. Sarkar, and M. Springborg,
    Chem. Phys. Lett. 365 (2002), 75-81.
  58. Structural and electronic properties of small titanium-carbon clusters (metcars),
    J.-O. Joswig, M. Springborg, and G. Seifert,
    Phys. Chem. Chem. Phys. 3 (2001), 5130-5134.
  59. Structural and electronic properties of cadmiumsulfide clusters,
    J.-O. Joswig, M. Springborg, and G. Seifert,
    J. Phys. Chem. B 104 (2000), 2617-2622.
  60. Ethyl 3-Hydroxybenzol[b]furan-2-carboxylate,
    R.O. Gould, M.F. Guest, J.-O. Joswig, M.H. Palmer, and S. Parsons,
    Acta Cryst. C 54 (1998), 1951-1954.

Books

  1. Physikalische Chemie VII: Rotations- und Schwingungsspektroskopie,
    J.-O. Joswig,
    Springer (2018), ISBN 978-3-662-54535-5.
  2. Computational Chemistry Workbook,
    T. Heine, J.-O. Joswig, and A. Gelessus,
    Wiley-VCH (2009), ISBN 978-3-527-32442-2.

Edited Books and Special Issues

  1. Chemical Modelling 15 (2019),
    M. Springborg and J.-O. Joswig (Eds.),
    The Royal Society of Chemistry, ISBN: 978-1-78801-369-7.
  2. Chemical Modelling 14 (2018),
    M. Springborg and J.-O. Joswig (Eds.),
    The Royal Society of Chemistry, ISBN: 978-1-78801-004-7.
  3. Chemical Modelling 13 (2016),
    M. Springborg and J.-O. Joswig (Eds.),
    The Royal Society of Chemistry, ISBN: 978-1-78262-541-4.
  4. Zeitschrift für Physikalische Chemie 230/5-7 (2016),
    J.-O. Joswig (Guest Ed.),
    de Gruyter.
  5. Chemical Modelling 12 (2015),
    M. Springborg and J.-O. Joswig (Eds.),
    The Royal Society of Chemistry, ISBN: 978-1-78262-115-7.
  6. Chemical Modelling 11 (2014),
    M. Springborg and J.-O. Joswig (Eds.),
    The Royal Society of Chemistry, ISBN 978-1-84973-954-2.
  7. Chemical Modelling: Applications and Theory 10 (2013),
    M. Springborg and J.-O. Joswig (Eds.),
    The Royal Society of Chemistry, ISBN 978-1-84973-586-5.

Book chapters

  1. Density-functional theory: 50 years young and stronger than ever
    M. Springborg and J.-O. Joswig,
    in Chemical Modelling 11 (2014), 134-150,
    The Royal Society of Chemistry.
  2. Inorganic nanotubes
    J.-O. Joswig,
    in Chemical Modelling: Applications and Theory 8 (2011), 127-141,
    The Royal Society of Chemistry.
  3. Modelling proton transport
    J.-O. Joswig,
    in Chemical Modelling: Applications and Theory 7 (2010), 193-211,
    The Royal Society of Chemistry.
  4. Excitations
    J.-O. Joswig,
    in Chemical Modelling: Applications and Theory 6 (2009), 131-161,
    The Royal Society of Chemistry.

Conference proceedings and others

  1. "Lab@Home":Individualisierte und ortsunabhängige Durchführung eines Computerpraktikums,
    F. M. Arnold, J.-O. Joswig,
    in Lösungen für die Lehre: Erprobte Lehrpraxis aus sächsischen Hochschulen (2021), 12-15.
  2. Congratulations to Michael Springborg,
    J.-O. Joswig,
    Z. Phys. Chem. 230 (2016), 587–588.
  3. The virtues of magnetism,
    J.-O. Joswig, T. Lorenz, and G. Seifert,
    ACS Nano 7 (2013), 10449-10451.
  4. Carbon based functional coatings for tribological applications,
    M. Krause, G. Abrasonis, S. Gemming, J. Faßbender, S. Makowski, V. Weihnacht, A. Leson, T. Kunze, M. Posselt, J.-O. Joswig, G. Seifert, A. Götze, M. Hübner, and H. Zellbeck,
    Proc. Internat. ECEMP Colloquium (2013), Verlag Wissenschaftliche Scripten, ISBN 978-3-95735-006-0, 423-426.
  5. Layered nanostructures - electronic and mechanical properties,
    G. Seifert, T. Lorenz, and J.-O. Joswig,
    MRS Online Proceedings Library 1549 (2013).
  6. Nanostrukturierte Verschleißschutzschichten für den Automobilbau - von der Konzeption zur Anwendung,
    J. Fassbender, W. Möller, E. Beyer, G. Seifert, H. Zellbeck, G. Abrasonis, S. Gemming, M. Hübner, J.-O. Joswig, M. Krause, T. Kunze, A. Leson, S. Makowski, M. Posselt, V. Weihnacht,
    in ECEMP – European Centre for Emerging Materials and Processes, W.A. Hufenbach (Ed.), (2011), Verlag Wissenschaftliche Scripten, ISBN 978-3-942267-14-4, 179-190.
  7. Trends in the properties of selected metal-organic framework structures: a theoretical study,
    A. Kuc, J.-O. Joswig, A. Enyashin, and G. Seifert,
    in Materials Issues in a Hydrogen Economy, P. Jena, A. Kandalam, Q. Sun, Eds., (2009), 173-183;
    Proceedings of the International Symposium on Materials Issues in a Hydrogen Economy (ISHE), Richmond, VA (Nov 11-17, 2007).
  8. 43. Symposium für Theoretische Chemie in Saarbrücken,
    J.-O. Joswig,
    Bunsenmagazin 9 (2007), 240.
  9. Structural, electronic and optical properties of surface-saturated cadmium sulfide clusters,
    J. Frenzel, J.-O. Joswig, G. Seifert, and M. Springborg,
    Chimia 59 (2005), 409-446(P130); DFT'05, Geneva, Switzerland (Sept 11-15 2005).
  10. Electronic and structural properties of semiconductor colloids,
    M. Springborg, P. Sarkar, S. Roy, and J.-O. Joswig,
    Advances in Science and Technology 44 (2004), 159-166.
  11. Optimizing structure for larger, finite systems,
    M. Springborg, J.-O. Joswig, V.G. Grigoryan, C. Gräf, S. Roy, and P. Sarkar,
    Scientific Highlight of the Month, Psi-k Newsletter 49 (2002), 99-117.