Welcome to the Materials Modeling and Microscopy (M-cube) group.
Research in M-cube is focused on developing quantitative structure-property correlations in materials for energy applications. In order to do so, we use a synergistic combination of electronic structure theory calculations and aberration-corrected scanning transmission electron microscopy (STEM). We use the knowledge gained from this combination of theory and microscopy to predict new materials with improved properties. Some of the materials that we are currently interested in are complex oxides, compound semiconductors and 2D materials that show novel properties, such as magnetism, ferroelectricity, and superconductivity, and are important for applications such as in catalysis, photovoltaics and solid-oxide fuel cells.
1 graduate student opening in Fall 2017
in the area of catalysis. The student will be part of a 10-member collaborative team of researchers at WashU, Univ. of Illinois Chicago and Argonne National Laboratory supported by the National Science Foundation. WashU’s role is to use predictive atomistic modeling to rationally design two-dimensional materials that can act as good catalysts for a variety of electrochemical reactions such as CO<sub>2</sub> reduction, oxygen reduction reaction and in Li-air batteries. The predicted materials will be synthesized and characterized by collaborators at UIC . Contact Rohan for more information.