Surfaces and Interfaces

Surfaces and interfaces have been decidedly considered to harbor interesting phenomena that have yet to be understood which opened doors to new applications in the field of catalysis, electronic devices, and sensors, to name a few. Our group has been actively exploring the chemical and elctronic properties of surfaces and interfaces of diverse metal oxides through Density Functional Theory, Molecular Dynamics simulations, and Monte Carlo methods. For example, with DFT+thermodynamics in tandem with experimental methods that can probe the spatial ordering and electronc structure of surfaces, such as Low Energy Electron Diffraction (LEED) and Scanning Tunneling Microscopy M), we could identify the atomic strucrure of surfaces, with atomic level information.