There are 25 validated posters

• On the relevance of dispersion interactions for the energetics of titania polymorphs
  José C. Conesa
• Modeling charge transfer in TiO2 surfaces
  N. Aaron Deskins, Roger Rousseau, Michel Dupuis
• Solar light and dopant induced recombination effects: Photoactive nitrogen in TiO2 as a case study
  Oliver Diwald, Massimiliano D'Arienzo(1), Nicolas Siedl(2), Andreas Sternig(2), Roberto Scotti(1), Franca Morazzoni(1), Johannes Bernardi(3)
• Improved SCC-DFTB parameters for simulating bulk and molecular systems involving titanium
  Grygoriy Dolgonos, Balint Aradi, Ney H. Moreira, Thomas Frauenheim
• DFT+U calculations of TiO_2 bulk and TiO_2(110) surface
  Matteo Farnesi Camellone, Piotr M. Kowalski and Dominik Marx
• DFT modeling of TiO2 nanotubes
  Anna Maria Ferrari
• A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: The case of the highly active metal/CeOx /TiO2(110) catalysts
  Jesus Graciani, J.B. Park, J. Evans, J.J. Plata, D. Stacchiola, J. Fdez. Sanz, and J.A. Rodriguez
• Optical properties of nanostructured TiO2
  Amilcare Iacomino, L. Chiodo[1,2], J. M. García-Lastra[1], D. Mowbray[1], G. Cantele[3] and A. Rubio[1]
• Defects, doping and H diffusion in TiO2: A first principles investigation
  Mohammad M. Islam, T. Bredow(a), A. Gerson(b), M. Calatayud(c) and G. Pacchioni(d)
• Structure, electronic and optical properties of amorphous TiO2 - layers
  Thomas Koehler, Grygoriy Dolgonos, Thomas Frauenheim, Wolf-Gero Schmidt, Marc Landmann
• Theoretical study of photoinduced electron transfer processes in the dye-semiconductor system alizarin-TiO2
  Ivan Kondov, Jingrui Li, Haobin Wang, Michael Thoss
• First principles molecular dynamics simulations of small peptides on titanium dioxide surfaces
  Susan Köppen, W. Friedrichs , L. Colombi Ciacchi, W. Langel
• TiO2 bulk and surface optical properties
  Marc Landmann, Th. Frauenheim (2), E. Rauls (1) and W.G. Schmidt (1)
• Surface functionalization of TiO2 nanoparticles: Photo-stability and reactive oxygen species (ROS) generation
  Kacie Louis, Ofek Bar-Ilan, Michael Konrath, Sarah Yang, Warren Heideman, Joel Pedersen, Richard Peterson, Robert Hamers
• Quantum chemical study of Agn/TiO2 systems and their interaction with NO
  Aliaksei Mazheika, Vitaly E. Matulis, Thomas Bredow, Oleg A. Ivashkevich
• First-principles Design and Adsorption of Novel Organic Dyes on anatase TiO2
  Sheng Meng, Jun Ren, Md. K. Nazeeruddin, F. Rotzinger, S. M. Zakeeruddin, Michael Graetzel, Efthimios Kaxiras
• Greatly facilitated oxygen vacancy formation in ceria nanocrystallites
  Annapaola Migani, Georgi N. Vayssilov (c) Stefan T. Bromley (a, d) Francesc Illas (a, d) Konstantin M. Neyman (a, d)
• Modelling lithium intercalation of anatase TiO2 with DFT+U
  Benjamin Morgan, Graeme W. Watson
• Advanced photocatalysis using modified TiO2 nanotubes
  Indhumati Paramasivam, P. Schmuki
• First principles models of CH2F2 adsorbed on anatase (101) surface
  Jessica Scaranto, Santi Giorgianni
• Bulk and Surface properties of TiO2: Methods and Model dependence
  Tobit Schmitt, Immanuel Gadaczek, Thomas Bredow
• Adsorption of Biomolecules on Natively Oxidised Titanium Surfaces
  Julian Schneider, Lucio Colombi Ciacchi
• Functional interfaces in oxide nanoparticle networks: Enhanced charge separation for improved photocatalytic activities
  Nicolas Siedl, Michael J. Elser(1), Johannes Bernardi(2), Oliver Diwald(1)
• Systematic ab initio study of hydrogenated titania clusters (TiO2)nH2, n=1-10
  Olga Syzgantseva, Monica Calatayud, Christian Minot
• Water structure and redox reactivity of TiO2 anatase / water inrerfaces: First-principles MD study with TiO2 slabs soaked in bulk water
  Yoshitaka Tateyama, Masato Sumita(1,3), Chunping Hu(1)