Check out our group’s article in the 2019 Annual Review of Physical Chemistry covering our work on modeling conical intersections in semiconductor nanomaterials.
Check out Mike’s new paper in JPCA! In it, we analyze the low propensity for nonradiative recombination in lead halide perovskites by identifying and characterizing conical intersections in two models of the surface of CsPbBr3. We only find conical intersections that are inaccessible upon excitation across the bulk band gap. Analysis of the electronic structure around these intersections suggests that the ionic nature of the material contributes to the high energy of the intersections.