Multifaceted nature of defect tolerance in halide perovskites and emerging semiconductors

TL;DR

This review explores the complex mechanisms behind defect tolerance in lead-halide perovskites and emerging semiconductors, evaluating models, experimental evidence, and future directions for designing stable, defect-tolerant materials.

Contribution

It provides a comprehensive analysis of defect tolerance models in halide perovskites and discusses their application to new materials, highlighting current limitations and future research needs.

Findings

Multiple models proposed for defect tolerance with varying support

Application of defect tolerance models to new materials shows mixed success

Identifies key missing information for predictive defect tolerance modeling

Abstract

Lead-halide perovskites (LHPs) have shot to prominence as efficient energy conversion materials that can be processed using cost-effective fabrication methods. A widely-quoted reason for their exceptional performance is their ability to tolerate defects, enabling long charge-carrier lifetimes despite high defect densities. Realizing defect tolerance in broader classes of materials would have a substantial impact on the semiconductor industry. Significant effort has been made over the past decade to unravel the underlying origins of defect tolerance to design stable alternatives to LHPs comprised of nontoxic elements. However, it has become clear that understanding defect tolerance in LHPs is far from straightforward. This review discusses the models proposed for defect tolerance in halide perovskites, evaluating the experimental and theoretical support for these models, as well as their limitations. We cover attempts to apply these models to identify materials beyond the lead-halide system that could also exhibit defect tolerance, and the successes and pitfalls encountered over the past decade. Finally, a discussion is made of some of the important missing pieces of information required for a deeper understanding and predictive models that enable the inverse design of defect tolerant semiconductors.