Single Molecular Reaction of Water on a ZnO Surface

The dissociation of a single water molecule on a ZnO(10 (1) over bar0) surface has been investigated at the atomic level by low temperature STM manipulation combined with DFT calculations. The positive pulses applied from the tip inject electrons into the system and break the bonding between water and the ZnO surface, thus leading to the hopping of water molecules. Negative pulses inject holes wherein the lower energy ones split the free O-H bond pointing out of the surface whereas the higher energy ones split the second O-H bond that is directed to the surface through hydrogen bonding. Moreover, the yielded proton and hydroxyl species present distinctly charged status through different reaction pathways, manifesting their unique impacts on tailoring the surface properties of the metal oxide.

Automated summary

The dissociation of a single water molecule on a ZnO(10 (1) over bar0) surface was investigated through low temperature STM manipulation and DFT calculations. Positive pulses injected electrons into the system to break the bonding, while negative pulses injected holes to split the O-H bonds in different directions. The resulting proton and hydroxyl species showed distinct charged status and unique impacts on tailoring the surface properties of the metal oxide.