9 datasets found

This dataset houses Replication Data for: Revisiting Water Adsorption on TiO2 and ZnO Surfaces: A SCC-DFTB Molecular Dynamics Study. The dataset shares the DFTB-level...

This dataset houses a research poster, its poster abstract, and its award certificate. The set of documents was first presented at The Virtual 10th International Conference on...

This dataset houses Replication Data for: Adsorption of guanine on oxygen-deficient TiO2 surface: A combined MD-DFTB/DFT strategy. The dataset shares the DFT-level computational...

This dataset houses a research poster and its poster abstract. The set of documents was first presented at the doctoral days organized by the Doctoral Committee of the...

This dataset houses a research poster and its poster abstract. The set of documents was first presented at the doctoral days organized by the Doctoral Committee of the...

This dataset houses simulation data for “SCC-DFTB/MD simulation: guanine-TiO2 adsorption model.” This set of simulations is a continuation of the set used in the related...

This dataset houses a research poster and its poster abstract. The set of documents was first presented at the doctoral days organized by the Doctoral Committee of the...

This dataset houses the code and data related to the paper titled "Prediction of Electronic Density of States in Guanine-TiO2 Adsorption Model based on Machine Learning.”...

Dye sensitised solar cells, based around colloids of the wide bandgap semiconductor TiO2 with bound dyes have potential to provide a cheap,sustainable source of solar energy...