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.


Powe Junior Faculty Award

By steven.t.hartman on June 21, 2017

Rohan recieves the Ralph E. Powe Junior Faculty Enhancement Award from Oak Ridge Associated Unive...

5 new publications in 2016

By Rohan Mishra on January 4, 2017

We had 5 new publications in 2016. Our first publication of the year was a multinational collabor...

New M-cubers

By Rohan Mishra on January 4, 2017

Dr. Sung Beom Cho joins our group from Hanyang University in South Korea as we bid farewell to Xi...

Dr. Xing Huang joins M-cube

By Rohan Mishra on December 14, 2015

Dr. Xing Huang joins us as a postdoctoral scholar. Xing will be using his expertise in combining ...