Perovskite-inspired materials for photovoltaics and beyond—from design to devices

Abstract

Lead-halide perovskites have demonstrated astonishing increases in power conversion efficiency in photovoltaics over the last decade. The most efficient perovskite devices now outperform industry-standard multi-crystalline silicon solar cells, despite the fact that perovskites are typically grown at low temperature using simple solution-based methods. However, the toxicity of lead and its ready solubility in water are concerns for widespread implementation. These challenges, alongside the many successes of the perovskites, have motivated significant efforts across multiple disciplines to find lead-free and stable alternatives which could mimic the ability of the perovskites to achieve high performance with low temperature, facile fabrication methods. This Review discusses the computational and experimental approaches that have been taken to discover lead-free perovskite-inspired materials, and the recent successes and challenges in synthesizing these compounds. The atomistic origins of the extraordinary performance exhibited by lead-halide perovskites in photovoltaic devices is discussed, alongside the key challenges in engineering such high-performance in alternative, next-generation materials. Beyond photovoltaics, this Review discusses the impact perovskite-inspired materials have had in spurring efforts to apply new materials in other optoelectronic applications, namely light-emitting diodes, photocatalysts, radiation detectors, thin film transistors and memristors. Finally, the prospects and key challenges faced by the field in advancing the development of perovskite-inspired materials towards realization in commercial devices is discussed.

Prediction of high thermoelectric performance in the low-dimensional metal halide Cs3Cu2I5

“…1. The atomic structure is similar to lowdimensional perovskite-inspired materials such as Cs 4 PbBr 6 where metal halide anion clusters are surrounded and isolated by cation counter parts (effective 0D connectivity) 16,17 . However, due to distinct size and orbital configuration of Cu(I) 3d 10 4s 0 , it does not form octahedral clusters like Pb(II) 5d 10 6s 2 18 .…”

The Impact of Cesium and Antimony Alloying on the Photovoltaic Properties of Silver Bismuth Iodide Compounds

“…However, their poor surface morphology and relatively high bandgap energies (>2 eV) cause lower power conversion efficiency (PCE) to compare with Pb-based devices. [8][9][10] In addition to their application in solar cells, Pb-free perovskites showed useful results in other applications. They are used in cases, such as indoor photovoltaics (IPV), light-emitting diodes (LEDs), photodetectors, and high-performance X-ray detectors.…”

Hidden spontaneous polarisation in the chalcohalide photovoltaic absorber Sn2SbS2I3

“…wide range of optoelectronic applications, such as light-emitting diodes, photocatalysts, radiation detectors, thin film transistors and memristors. 1 A defining feature of halide perovskites is the combination of a lone-pair cation with a halide anion which can produce, inter alia, dispersive valence and conduction bands, defect tolerance, and strong dielectric screening. 1,4 On the other hand, the soft metal-halide bonding contributes to the poor chemical and thermal stabilities of these materials.…”

“…1 A defining feature of halide perovskites is the combination of a lone-pair cation with a halide anion which can produce, inter alia, dispersive valence and conduction bands, defect tolerance, and strong dielectric screening. 1,4 On the other hand, the soft metal-halide bonding contributes to the poor chemical and thermal stabilities of these materials. 5 Chalcohalide PIMs offer a route around this issue, demonstrating remarkably higher air and water stability -due to the increased strength of metal-chalcogen bonding 4,5 -while retaining the ns 2 cation -halide anion combination.…”