| Popis: |
In the five-decade search for efficient photocatalysts to convert natural sunlight into hydrogen via photoelectrochemical (PEC) dissociation of water, the underlying physics and chemistry of PEC processes taking place at metal-oxide photocatalysts remains relatively poorly understood and is an active area of research by both theorists and experimentalists. This is surely the case for water structuring at metal-oxide surfaces, including their "self-ordering." In this work, we apply classical molecular-dynamics techniques to investigate and classify the structure and ordering of water layers at two TiO |
