Atomistic Insights into the Origin of High-Performance Thermoelectric Response in Hybrid Perovskites.

ABSTRACT: Due to their tantalizing prospect of heat-electricity interconversion, hybrid organic-inorganic perovskites have sparked considerable research interests recently. Nevertheless, understanding their complex interplay between the macroscopic properties, nonintuitive transport processes, and basic chemical structures still remains far from completion, although it plays a fundamental role in systematic materials development. On the basis of multiscale first-principles calculations, this understanding is herein advanced by establishing a comprehensive picture consisting of atomic and charge dynamics. It is unveiled that the ultralow room-temperature lattice thermal conductivity (≈0.20 W m^-1 K^-1 ) of hybrid perovskites is critical to their decent thermoelectric figure of mer

SUBMITTER: Shi W 

PROVIDER: S-EPMC10369277 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature