Photomechanical Behavior in Photovoltaic Semiconductors

Photovoltaic semiconductors are capable of converting light into electricity. They are the principal components of solar cells that provide renewable energy from sunlight. These semiconductors tend to fail in a brittle manner, limiting their general use to small-scale applications. New evidence shows though that the mechanical behavior of photovoltaic semiconductors is sensitive to sunlight, exhibiting the potential of relative malleability under illumination. The mechanisms underlying such a light-mechanical coupling effect remain elusive. In this project, we and our experimental collaborators explore the photomechanical behavior of photovoltaic semiconductors using a multiscale modeling and experimental framework. We will characterize the influence of photoinduced electron-hole excitation on the dislocation and twining mechanics in cadmium telluride, a prototype photovoltaic semiconductor. On the sub-atomic scale, advanced quantum mechanics simulations will be performed to determine the influence of electron-hole pairs on the energy and force barriers of dislocation and twin nucleation, as well as dislocation mobility. On the atomic scale, we will develop a machine learning force field and apply this force field to explore the carrier concentration-dependent mechanisms of the dislocation-dislocation and dislocation-twin interactions. This work will result in a new physical picture of the deformation mechanism of photovoltaic semiconductors under light illumination, and provide a comprehensive understanding of light-mechanical coupling effects in general photovoltaic materials.