Water-titanium dioxide modelling. Computer model showing the structure and charge density of water (across centre) on a titanium dioxide surface (across bottom). The atoms are colour-coded: hydrogen (white),oxygen (red) and titanium (grey). The charge density (electron clouds) is purple. This 2008 model was produced from ab initio molecular dynamics calculations using the Jaguar supercomputer at Oak Ridge National Laboratory,USA. The model successfully simulated proton transfer (Grotthuss mechanism) for water in the presence of titanium dioxide,a material used as a catalyst in solar cells and fuel cells | |
Lizenzart: | Lizenzpflichtig |
Credit: | Science Photo Library / JORGE SOFO, PENN STATE UNIVERSITY / PAUL KENT, NATIONAL CENTER FOR COMPUTATIONAL SCIENCES, ORNL |
Bildgröße: | 3012 px × 3012 px |
Modell-Rechte: | nicht erforderlich |
Eigentums-Rechte: | nicht erforderlich |
Restrictions: | - |