Theoretical insights into the thermal conductivity of 2D hybrid perovskites based on a thermal resistance network model

Abstract

Understanding thermal transport in two-dimensional organic–inorganic hybrid perovskites (2D-HOIPs) is crucial for developing functional materials with ultralow thermal conductivity. In this work, we employ a thermal resistance network model to calculate the thermal conductivity of 2D-HOIPs and reveal an effective molecular design strategy for its reduction. Our findings demonstrate that replacing linear organic cations with branched ones significantly reduces thermal conductivity, making it up to four times lower than those of its linear counterparts, reaching as low as 0.07 W m⁻¹ K⁻¹. This study provides new insights into the tailoring of thermal transport in 2D-HOIPs through molecular engineering, offering a promising approach for thermal management and energy conversion applications.