Photoinduced Dynamics of Charge Carriers in Metal Halide Perovskites from an Atomistic Perspective.

Perovskite solar cells have attracted intense attention over the past decade because of their low cost, abundant raw materials, and rapidly growing power conversion efficiency (PCE). However, nonradiative charge carrier losses still constitute a major factor limiting the PCE to well below the Shockley-Queisser limit. This Perspective summarizes recent atomistic quantum dynamics studies on the photoinduced excited-state processes in metal halide perovskites (MHPs), including both hybrid organic-inorganic and all-inorganic MHPs and three- and two-dimensional MHPs. The simulations, performed using a combination of time-domain