Dr. Stefan Wippermann



My Photograph

Research Interests

  • Nanocomposites
  • Solar energy materials
  • (Photo-)catalysis and corrosion
  • Large scale molecular dynamics
  • Electron transport in nanostructures
  • Optical excitation spectra (GW/BSE)
  • Physics and chemistry of surfaces and interfaces

Present Address

Interface Chemistry and Surface Engineering Department
Max-Planck-Institute for Iron Research GmbH
Max-Planck-Str. 1
40237 Düsseldorf, Germany

Phone: +49 211 6792 161
Email: wippermann [at] mpie . de

Methods

  • First principles calculations employing density functional theory (DFT), density functional tight binding (DFTB), many body perturbation theory (MBPT), Greens & Wannier function techniques
  • VASP, Quantum Espresso, QBox, DFTB, LAMMPS, WanT, ABINIT, DP

Researcher ID



Short CV

Personal Interests

  • natural sciences, computer science,
    DIY electronics, playing the piano,
    photography, jogging, Aikido



Publications in scientific journals

  1. E. Scalise, V. Srivastava, E. Janke, D. Talapin, G. Galli, S. Wippermann,
    «Surface chemistry and buried interfaces in all-inorganic nanocrystalline solids»
    Nature Nanotechnology (in print)

  2. C. Perez Leon, H. Drees, S. Wippermann, M. Marz, R. Hoffmann-Vogel,
    «Atomically resolved scanning force studies of vicinal Si(111)»
    Phys. Rev. B 95, 245512 (2017)

  3. T. Frigge, B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed, V. Miksic Trontl, I. Avigo, P. Zhou, M. Ligges, D. von der Linde, U. Bovensiepen, M. Horn von Hoegen,
    S. Wippermann, A. Lücke, S. Sanna, U. Gerstmann, W. G. Schmidt,
    «Optically excited structural transition in atomic wires on surfaces at the quantum limit»
    Nature 544, 207 (2017)

  4. S. Wippermann, Y. He, M. Vörös, G. Galli,
    «Novel silicon phases and nanostructures for solar energy conversion»
    Appl. Phys. Rev. 3, 040807 (2016)

  5. E. Speiser, N. Esser, S. Wippermann, W. G. Schmidt,
    «Surface vibrational Raman modes of In: Si(111)(4x1) and (8x2) nanowires»
    Phys. Rev. B 94, 075417 (2016)

  6. C. Perez Leon, H. Drees, S. Wippermann, M. Marz, R. Hoffmann-Vogel,
    «Atomic-Scale Imaging of the Surface Dipole Distribution of Stepped Surfaces»
    J. Phys. Chem. Lett. 7, 426 (2016)

  7. H. W. Yeom, D. M. Oh, S. Wippermann, W. G. Schmidt,
    «Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array»
    ACS Nano 10, 810 (2016)

  8. F. Edler, I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, W. G. Schmidt, C. Tegenkamp,
    «Interwire coupling for In(4x1)/Si(111) probed by surface transport»
    Phys. Rev. B 92, 085426 (2015)

  9. B. Grabowski, S. Wippermann, A. Glensk, T. Hickel, J. Neugebauer,
    «Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au»
    Phys. Rev. B 91, 201103 (2015)

  10. D. M. Oh, S. Wippermann, W. G. Schmidt, H. W. Yeom,
    «Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations»
    Phys. Rev. B 90, 155432 (2014)

  11. M. Vörös, S. Wippermann, B. Somogyi, A. Gali, D. Rocca, G. Zimanyi, G. Galli,
    «Germanium nanoparticles with non-diamond core structures for solar energy conversion»
    J. Mat. Chem. A 2, 9820 (2014)

  12. S. Wippermann, M. Vörös, A. Gali, G. Zimanyi, F. Gygi, G. Galli,
    «Solar nanocomposites with complementary charge extraction pathways for electrons and holes: Si embedded in ZnS»
    Phys. Rev. Lett. 112, 106801 (2014)
    Fig. 1 was featured on the PRL cover

  13. T. Frigge, S. Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W. G. Schmidt, M. Horn-von-Hoegen,
    «Frigge et al. Reply»
    Phys. Rev. Lett. 111, 149602 (2013)

  14. A. Baghbanpourasl, K. Hingerl, S. Wippermann, W. G. Schmidt,
    «Copper(110) surface in thermodynamic equilibrium with water vapor studied from first principles»
    Surf. Sci. 612, 82 (2013)

  15. S. Wippermann, M. Vörös, D. Rocca, A. Gali, G. Zimanyi, G. Galli,
    «High pressure core structures of Si nanoparticles for solar energy conversion»
    Phys. Rev. Lett. 110, 046804 (2013)

  16. S. Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W. G. Schmidt, M. Horn-von-Hoegen,
    «An Atomistic Picture of Charge Density Wave Formation at Surfaces»
    Phys. Rev. Lett. 109, 186101 (2012)

  17. C. Schmidt, T. Breuer, S. Wippermann, W. G. Schmidt, G. Witte,
    «Substrate induced thermal decomposition of perfluoro-pentacene thin films on the coinage metals»
    J. Phys. Chem. C 116, 24098 (2012)

  18. W. G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N. J. Vollmers, U. Gerstmann
    «In-Si(111)(4x1)/(8x2) nanowires: Electron transport, entropy, and metal-insulator transition»,
    phys. stat. sol. (b) 249, 343 (2012)

  19. P. Thissen, V. Thissen, S. Wippermann, Y. J. Chabal, G. Grundmeier, W. G. Schmidt,
    «pH-dependent structure and energetics of H2O/MgO(110)»,
    Surf. Sci. 606, 902 (2012)

  20. W. G. Schmidt, M. Babilon, C. Thierfelder, S. Sanna, S. Wippermann
    «Influence of Na adsorption on the quantum conductance and metal insulator transition of the In-Si(111)(4x1)-(8x2) nanowire array»,
    Phys. Rev. B 84, 115416 (2011)

  21. S. Sanna, C. Thierfelder, S. Wippermann, T. P. Sinha, W. G. Schmidt,
    «Ground- and excited-state properties of barium titanate from first-principles calculations»,
    Phys. Rev. B 83, 054112 (2011)

  22. S. Wippermann, W. G. Schmidt,
    «Entropy explains metal-insulator transition of Si(111)-In nanowire array»,
    Phys. Rev. Lett. 105, 126102 (2010)

  23. E. Speiser, S. Chandola, K. Hinrichs, M. Gensch, C. Cobet, S. Wippermann, W. G. Schmidt, F. Bechstedt, W. Richter, K. Fleischer, J. F. McGilp, N. Esser,
    «Metal-insulator transition in Si(111)-(4x1)/(8x2)-In studied by optical spectroscopy»,
    phys. stat. sol. (b) 247, 2033 (2010)

  24. P. Thissen, G. Grundmeier, S. Wippermann, W. G. Schmidt,
    «Water adsorption on the α-Al2O3(0001) surface»,
    Phys. Rev. B 80, 245403 (2009)

  25. S. Chandola, K. Hinrichs, M. Gensch, N. Esser, S. Wippermann, W. G. Schmidt, F. Bechstedt, K. Fleischer, J. F. McGilp,
    «Structure of Si(111)-In nanowires determined from midinfrared optical response»,
    Phys. Rev. Lett. 102, 226805 (2009), selected for Virtual Journal of Nanoscale Science & Technology 22(06) (2009)

  26. S. Wippermann, W. G. Schmidt,
    «Optical anisotropy of the In/Si(111)-(4x1)/-(8x2) nanowire array»,
    Surf. Sci. 603, 247250 (2009)

  27. S. Wippermann, W. G. Schmidt,
    «Water adsorption on clean Ni(111) and p(2x2)-Ni(111)-O surfaces calculated from first principles»,
    Phys. Rev. B 78, 235439 (2008)

  28. S. Wippermann, N. Koch, W. G. Schmidt,
    «Adatom-induced conductance modification of In nanowires: Potential-well scattering and structural effects»,
    Phys. Rev. Lett. 100, 106802 (2008), selected for Virtual Journal of Nanoscale Science & Technology 17(12) (2008)

  29. W. G. Schmidt, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, A. Hermann,
    «LiNbO3 ground- and excited-state properties from first-principles calculations»,
    Phys. Rev. B 77, 035106 (2008)

  30. S. Wippermann, W. G. Schmidt, A. A. Stekolnikov, K. Seino, F. Bechstedt, A. Calzolari, M. B. Nardelli,
    «Quantum conductance of In nanowires on Si(111) from first principles calculations»,
    Surf. Sci. 601, 4045 (2007)

  31. A. A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W. G. Schmidt, A. Calzolari, M. B. Nardelli,
    «Hexagon versus trimer formation in In nanowires on Si(111): Energetics and quantum conductance»,
    Phys. Rev. Lett. 98, 026105 (2007), selected for Virtual Journal of Nanoscale Science & Technology 15(03) (2007)

  32. S. Blankenburg, S. Wippermann, T. Krüger,
    «Ensemble Teleportation under suboptimal conditions»,
    Physica Scripta 74, 190-196 (2006)

PRL cover nanocomposites


Conference proceedings

  1. M. Vörös, S. Wippermann, A. Gali, F. Gygi, G. Zimanyi, G. Galli,
    «Exotic phase Si nanoparticles and Si-ZnS nanocomposites: New paradigms to improve the efficiency of MEG solar cells»
    Photovoltaic Specialists Conference (PVSC), 2014 IEEE 40th, 3432

  2. S. Wippermann, M. Vörös, A. Gali, G. Galli, G. Zimanyi
    «Comparative Study of Si and Ge Nanoparticles with Exotic Core Phases for Solar Energy Conversion»
    Photovoltaic Specialists Conference (PVSC), 2013 IEEE 39th, 0989

  3. W. G. Schmidt, E. Rauls, U. Gerstmann, S. Sanna, M. Landmann, M. Rohrmüller, A. Riefer, S. Wippermann,
    «Entropy and Metal-Insulator Transition in Atomic-Scale Wires: The Case of In-Si(111)(4x1)/(8x2)»,
    High Performance Computing in Science and Engineering 2011, Springer Verlag, Berlin, S. 131 (2011)

  4. W. G. Schmidt, E. Rauls, U. Gerstmann, S. Sanna, M. Landmann, M. Rohrmüller, A Riefer, S. Wippermann, S. Blankenburg,
    «Copper Substrate Catalyzes Tetraazaperopyrene Polymerization»,
    High Performance Computing in Science and Engineering 2011, Springer Verlag, Berlin, S. 47 (2011)

  5. S. Wippermann, M. Babilon, C. Thierfelder, S. Sanna, W. G. Schmidt,
    «Influence of Adatoms on the Quantum Conductance and Metal-Insulator Transition of Atomic-Scale Nanowires»,
    High Performance Computing on Vector Systems 2011, Springer Verlag, Berlin, S. 159 (2011)

  6. W. G. Schmidt, S. Wippermann, E. Rauls, U. Gerstmann, S. Sanna, C. Thierfelder, M. Landmann, L. S. dos Santos,
    «Si(111)-In nanowire optical response from large-scale ab initio calculations»,
    High Performance Computing in Science and Engineering 2010, Springer Verlag, Berlin, S. 149 (2011)

  7. S. Wippermann, W. G. Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch, N. Esser, K. Fleischer, J. F. McGilp,
    «Ground state of Si(111)-(4x1)/(8x2)-In nanowires from mid-infrared response»,
    phys. stat. sol. c 7, 133 (2010)

  8. S. Wippermann, W. G. Schmidt, P. Thissen, G. Grundmeier,
    «Dissociative and molecular adsorption of water on α-Al2O3(0001)»,
    phys. stat. sol. c 7, 137 (2010)

  9. S. Wippermann, N. Koch, S. Blankenburg, U. Gerstmann, S. Sanna, E. Rauls, A. Hermann, W. G. Schmidt,
    «Understanding Electron Transport in Atomic Nanowires from Large-Scale Numerical Calculations»,
    High Performance Computing on Vector Systems 2009, Springer Verlag, S. 233-242

  10. W. G. Schmidt, S. Blankenburg, E. Rauls, S. Wippermann, U. Gerstmann, S. Sanna, C. Thierfelder, N. Koch, M. Landmann,
    «Understanding long-range indirect interactions between surface adsorbed molecules»,
    High Performance Computing in Science and Engineering 2009, Springer Verlag, S. 75-84

  11. W. G. Schmidt, S. Blankenburg, S. Wippermann, A. Hermann, P. H. Hahn, M. Preuss, K. Seino, F. Bechstedt,
    «Anomalous water optical absorption: Large-scale first-principles simulations»,
    High Performance Computing in Science and Engineering 2006, Springer Verlag, S. 49-58

High Performance Computing on Vector Systems 2011: Cover Image


Talks (invited)

  1. S. Wippermann,
    «Solitonic excitations of the charge density wave formed in the In/Si(111) nanowire array»
    ICFSI-16, Hannover, Germany (2017)

  2. S. Wippermann,
    «Exotic forms of silicon for photovoltaic applications»
    E-MRS Spring Meeting, Strasbourg, France (2017)

  3. S. Wippermann,
    «Optical fingerprints of electrochemical solid/liquid interfaces»
    Retreat of RESOLV cluster of excellence, Sportschloss Velen, Germany (2017)

  4. S. Wippermann,
    «Entropy stabilizes Peierls condensate: phonon-driven charge density wave formation and adatom-induced early condensation»
    IBS Conference on Surface Atomic Wires, Pohang, South Korea (2016)

  5. S. Wippermann,M. Vörös, E. Scalise, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «Interface-controlled materials for energy conversion: semiconducting nanocrystal-solids»
    Colloquium, Tsinghua University, Beijing, China (2016)

  6. S. Wippermann,
    «Interface-controlled materials for solar energy conversion: semiconducting nanocrystal-solids and solid-liquid interfaces»
    Introductory talk, habilitation, University of Paderborn, Germany (2016)

  7. S. Wippermann, M. Vörös, E. Scalise, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    « Semiconducting nanoparticle solids for multi exciton solar cells: insights from ab initio calculations »
    Max-Planck-Institute for Polymer Research, Mainz, Germany (2015)

  8. S. Wippermann, W. G. Schmidt
    «In/Si(111)-(4x1)/(8x2): a fascinating model system for one-dimensional conductors»
    DPG Spring Meeting, Dresden, Germany (2014)

  9. S. Wippermann, M. Vörös, D. Rocca, T. Li, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «Atomistic and ab initio calculations of materials for energy»
    JSAP-MRS Joint Symposia 2013, Kyoto, Japan (2013)

  10. S. Wippermann, M. Vörös, D. Rocca, T. Li, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «Semiconducting nano-composites for solar energy conversion: insights from ab initio calculations»
    CPMD-Meeting 2013, Leipzig, Germany (2013)

  11. S. Wippermann, M. Vörös, D. Rocca, T. Li, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «Semiconducting nano-composites for solar energy conversion: insights from ab initio calculations»
    I-CAMP12, Boulder, Colorado (2012)

  12. S. Wippermann, S. Blankenburg, W. G. Schmidt
    «Large-scale numerical calculations for understanding the properties of materials»
    9th Teraflop Workshop, Sendai, Japan (2008)


Talks (contributed)

  1. S. Wippermann, M. Vörös, D Rocca, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «Multiple exciton generation in Si and Ge nanoparticles with high pressure core structures»
    DPG Spring Meeting, Dresden, Germany (2014)

  2. S. Wippermann, M. Vörös, F. Gygi, A. Gali, G. Zimanyi, G. Galli
    «Solar nanocomposites with complementary charge extraction pathways for electrons and holes: Si embedded in ZnS»
    DPG Spring Meeting, Dresden, Germany (2014)

  3. S. Wippermann, M. Vörös, B. Somogyi, D Rocca, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «High pressure phase Ge nanoparticles and Si-ZnS nanocomposites: new paradigms to improve the efficiency of MEG solar cells»
    APS March Meeting, Denver (2014)

  4. S. Wippermann, M. Vörös, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «Complementary transport channels in Si-ZnS nanocomposites: first principles simulations»
    APS March Meeting, Baltimore (2013)

  5. S. Wippermann, M. Vörös, D. Rocca, A. Gali, G. Zimanyi, G. Galli
    «High pressure core structures of Si nanoparticles for solar energy conversion»
    APS March Meeting, Baltimore (2013)

  6. S. Wippermann, M. Vörös, D. Rocca, T. Li, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «Si nanoparticles in solid matrices for solar energy conversion»
    APS March Meeting, Boston (2012)

  7. S. Wippermann, S. Sanna, W. G. Schmidt
    «The In/Si(111)-(4x1)/(8x2) surface: a fascinating model system for one-dimensional conductors»
    DPG Spring Meeting, Dresden, Germany (2011)

  8. PhD defense 2010/04: «Understanding substrate-supported atomic-scale nanowires from ab initio theory»

  9. S. Wippermann, W. G. Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch, N. Esser, K. Fleischer, J. F. McGilp
    «Ground state of Si(111)-(4x1)/(8x2)-In nanowires from mid-infrared response»
    ICFSI-12, Weimar, Germany (2009)

  10. S. Wippermann, N. Koch, W. G. Schmidt
    «Adatom-induced conductance modification of In/Si(111)-(4x1) nanowires: Potential-well scattering and structural effects»
    ICSFS-14, Dublin, Ireland (2008)


Posters

  1. S. Wippermann, M. Vörös, B. Somogyi, A. Gali, D. Rocca, F. Gygi, G. Zimanyi, G. Galli
    «Nanoparticles with high pressure core structures and Si-ZnS nanocomposites: new paradigms to improve the efficiency of MEG solar cells»
    DPG Spring Meeting, Dresden (2014)

  2. S. Wippermann, D. M. Oh, H. W. Yeom, W. G. Schmidt
    «Oxygen adsorption on the In/Si(111) nanowire array: structure and influence on metal insulator transition»
    DPG Spring Meeting, Dresden (2014)

  3. G. Zimanyi, S. Wippermann, M. Vörös, F. Gygi, G. Galli
    «Complementary transport channels in nanostructured solar cells»
    PVSC 39, Tampa, Florida (2013)
    "Best Poster Award" in "Fundamentals and New Concepts" category

  4. S. Wippermann, M. Vörös, D. Rocca, T. Li, A. Gali, G. Zimanyi, F. Gygi, G. Galli
    «Si nanoparticles in solid matrices for solar energy conversion»
    APS March Meeting, Boston (2012)

  5. S. Wippermann, S. Sanna, N. Koch, W. G. Schmidt
    «Entropy explains metal-insulator transition of Si(111)-In nanowire array»
    ECOSS-27, Groningen, Netherlands (2010)

  6. S. Wippermann, W. G. Schmidt, P. Thissen, G. Grundmeier
    «Water adsorption on the α-Al2O3(0001) surface»
    ICFSI-12, Weimar, Germany (2009)

  7. S. Wippermann, W. G. Schmidt
    «Water thin films on clean and oxygen-adsorbed Ni(111) surfaces» (revised version)
    DPG Frühjahrstagung, Dresden, Germany (2009)

  8. S. Wippermann, N. Koch, S.Sanna, W. G. Schmidt
    «Adatom- and temperature-induced conductance modification of In/Si(111)-(4x1) nanowires»
    DPG Frühjahrstagung, Dresden, Germany (2009)

  9. S. Wippermann, W. G. Schmidt
    «Water thin films on clean and oxygen-adsorbed Ni(111) surfaces»
    ICSFS-14, Dublin, Ireland (2008)
    This one actually obtained the "Best Poster of the ICSFS-14 Award" :).

  10. S. Wippermann, N. Koch, W. G. Schmidt
    «Adatom-induced conductance modification of surface-supported In nanowires: Electronic vs. geometrical effects»
    ICSS-13, Stockholm, Sweden (2007)

  11. S. Wippermann, S. Blankenburg, W. G. Schmidt
    «Electronic Transport through Silicon-supported Chains from First Principles»
    «Adsorption of Phenylglycine on Cu(110)»
    ECOSS-24, Paris, France (2006)

  12. S. Wippermann, S. Blankenburg, W. G. Schmidt
    «The information content of statistical operators in non-optimal teleportation schemata»
    «Is automatic ensemble teleportation under suboptimal conditions possible?»
    FFFP-6, Udine, Italy (2004)


Link to Midnight Commander website