FURI | Fall 2020

Utilizing Density Functional Theory to Compute the Efficacy of a Rippled Janus Structure for use in Optoelectronics

The search for more efficient and effective optoelectronics gives hope to find a breakthrough technology that can vastly increase the practicality of green technologies. Through the study of Janus, asymmetric, atomic structures a new novel structure can be found that exhibits favorable properties for optoelectronics and nanoelectronics. Specifically, through the study of rippled, Janus, dichalcogenide structures through first principle methods a novel structure for use in photocatalysis can be found. Anticipated results include the bandgap energies and hydrogen binding energies of this structure.