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Publication list for members of
E165 - Institute of Materials Chemistry
E165-TC (Theoretical chemistry)
as authors or essentially involved persons
Talks and Poster Presentations
2008 - 2008

29 records


Talks and Poster Presentations (with Proceedings-Entry)


  1. C. Spiel, S. Abermann, E. Bertagnolli, G. Rupprechter:
    "New model catalysts prepared by atomic layer deposition (ALD)";
    Talk: 9th Pannonian International Symposium on Catalysis, Strbske Pleso, Slowakei; 09-08-2008 - 09-12-2008; in: "9th Pannonian International Symposium on Catalysis", Slovak University of Technology, Bratislava (2008), ISBN: 978-80-227-2923-9; 53 - 54.

  2. C Weilach, C. Spiel, G. Rupprechter:
    "Carbonate formation on alumina model catalysts";
    Talk: 9th Pannonian International Symposium on Catalysis, Strbske Pleso, Slowakei; 09-08-2008 - 09-12-2008; in: "9th Pannonian International Symposium on Catalysis", Slovak University of Technology, Bratislava (2008), ISBN: 978-80-227-2923-9; 48 - 50.

  3. C Weilach, C. Spiel, G. Rupprechter:
    "Carbonate formation at defects of Al2O3/NiAI(110) thin films";
    Poster: 25th European Conference on Surface Science ecoss25, Liverpool; 07-27-2008 - 08-01-2008; in: "25th European Conference on Surface Science-ecoss25", (2008), 764 - 765.

  4. P. Blaha:
    "Unraveling the structure of h-BN / TM(111) nanomeshes with ab initio calculations";
    Keynote Lecture: 1st International Symposium on Advanced Microscopy and Theoretical Calculations, Nagoya, Japan (invited); 06-29-2008 - 06-30-2008; in: "Proceedings of the 1st International Symposium on Advanced Microscopy and Theoretical Calculations", AMTC Letters, 1 (2008), ISSN: 1882-9465; 144 - 145.

  5. C Weilach, C. Spiel, G. Rupprechter:
    "PM-IRAS and XPS studies of carbonate formation on model catalysts";
    Talk: COST D41 Workgroup 3 Meeting, Marseille, France (invited); 04-24-2008 - 04-25-2008; in: "Workgroup 3 meeting of COST Action D41 (Inorganic Oxides: Surfaces and Interfaces)", (2008), 23.

  6. K. Föttinger, K. Zorn, C Weilach, C. Spiel, G. Rupprechter:
    "Pd nanoparticles on high surface area alumina: surface reactions and catalytic applications";
    Talk: CERC3 Young Chemists workshop, Wien (invited); 05-15-2008 - 05-16-2008; in: "Young chemists workshop: Surface Chemistry of Nanomaterials", (2008), 24.


Talks and Poster Presentations (without Proceedings-Entry)


  1. P. Blaha:
    "Unraveling the structure of the h-BN/Rh(111) nanomesh";
    Talk: CMS boardmeeting 2008, Wien; 11-28-2008 - 11-29-2008.

  2. K. Schwarz:
    "Electronic Structure of solids and surfaces: WIEN2k";
    Keynote Lecture: International workshop on computational materials science, Cairo, Egypt (invited); 11-17-2008 - 11-20-2008.

  3. G. Rupprechter, C Weilach, C. Spiel:
    "Model studies on PdZn alloys";
    Talk: 7th Palladium Day, Fritz Haber-Institut Berlin, TU Wien Institut für Materialchemie, Uni Innsbruck Physikalische Chemie, Bad Dreikirchen, Italien; 09-28-2008 - 09-30-2008.

  4. F. Tran:
    "PBE+U Calculations of the Jahn-Teller Effect in PrO2";
    Poster: CCP9 Conference 2008, Cambridge; 09-04-2008 - 09-05-2008.

  5. R. Laskowski:
    "h-BN nanomesh on transition metal surfaces";
    Keynote Lecture: CCP9 Conference 2008, Cambridge (invited); 09-04-2008 - 09-05-2008.

  6. P. Blaha:
    "Unraveling the structure of h-BN / TM(111) nanomeshes";
    Keynote Lecture: 9th International Conference on the Structure of Surfaces (ICSOS 9), Salvador, Brasil (invited); 08-03-2008 - 08-08-2008.

  7. P. Blaha:
    "Wien2k Tutorial";
    Keynote Lecture: 1st International Workshop on Theoretical Calculations of Elnes and Xanes (TEX2008), Nagoya, Japan (invited); 07-02-2008 - 07-04-2008.

  8. P. Blaha:
    "Electronic Structure and XANES/ELNES spectroscopy from DFT (WIEN2k) calculations";
    Keynote Lecture: 1st International Workshop on Theoretical Calculations of Elnes and Xanes (TEX2008), Nagoya, Japan (invited); 07-02-2008 - 07-04-2008.

  9. K. Schwarz:
    "From crystal structure to materials properties with WIEN2k";
    Keynote Lecture: International Symposium on Structure-Property Relationships in Solid State Materials, Nantes (invited); 06-29-2008 - 07-03-2008.

  10. R. Laskowski:
    "h-BN on different transition metals, recent progres by ab-initio calculations";
    Talk: Nanomesh - Final meeting of EU project, Orscholz, Germany; 06-22-2008 - 06-23-2008.

  11. R. Laskowski:
    "h-BN on transition metal surfaces";
    Talk: Condensed Matter Seminar, University Aarhus, Aarhus, Denmark; 05-29-2008.

  12. P. Blaha, K. Schwarz:
    "Materialsimalationen auf atomarer Skala";
    Talk: Austrian Grid 2 - Kickoff-Meeting, Linz; 04-16-2008.

  13. P. Blaha:
    "APW based methods and the WIEN2k code";
    Talk: Center for Computational Materials Science, Wien (invited); 03-31-2008.

  14. F. Tran:
    "Jahn-Teller distortion in PrO2";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.

  15. K. Schwarz:
    "Nanomesh: h-BN on transition metal (111) surfaces";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.

  16. R. Laskowski:
    "Spin-orbit coupling and non-collinear magnetism";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.

  17. F. Tran:
    "LDA+U and forces";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.

  18. K. Schwarz:
    "Magnetism";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.

  19. P. Blaha:
    "An overview of the WIEN2k program";
    Keynote Lecture: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.

  20. K. Schwarz:
    "Density functional theory and the concepts of the augmented-plane-wave plos local orbitals method";
    Keynote Lecture: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.

  21. M. Fischer, T. Malcherek, U. Bismayer, P. Blaha, K. Schwarz:
    "Ab-initio calculation of structural instabilities in cadmium pyroniobate";
    Poster: 16. Jahrestagung der Deutschen Gesellschaft für Kristallographie, Erlangen, Deutschland; 03-03-2008 - 03-06-2008.

  22. K. Schwarz:
    "Jahn-Teller distortions in PrO2 and BN nanomesh on Rh(111)";
    Keynote Lecture: 23. Workshop on Novel Materials and Superconductivity, Planneralm (invited); 02-23-2008 - 03-01-2008.

  23. K. Schwarz:
    "From crystal structure to materials properties with WIEN2k";
    Talk: Festkörper-Kolloquium Physik, TU München, München, Germany (invited); 01-24-2008.