Atomically Thin 2D Transition Metal Oxides: Structural Reconstruction, Interaction with Substrates, and Potential Applications

The discovery of graphene has stimulated dramatic research interest on other 2D materials including transition metal oxide (TMO) monolayers in order to realize novel functionalization and applications. Due to reduced bonding coordination and strong surface polarization, the structures of most TMOs in the monolayer limit are very different from their bulk counterparts, as well as their physical and chemical properties. In this brief review, the authors summarize recent research progress on atomically thin TMO layers. The focus is on the structural properties of the TMOs and their interaction with the substrates from the computational point of view. The authors also introduce the potential applications of the TMO 2D materials on supercapacitors, photocatalysts, batteries, and sensors.