Enhancing Extraction and Suppressing Cooling of Hot Electrons in Lead Halide Perovskites by Dipolar Surface Passivation

Slowing hot carrier (HC) cooling and improving HC extraction are considered two pivotal factors for enhancing power conversion efficiency in emerging HC photovoltaic applications of perovskites and other materials. Employing ab initio quantum dynamics simulations, we demonstrate the simultaneous slow cooling and efficient extraction of hot electrons at the C