Advances in perovskite-based photovoltaics and photocatalysis: a journey fueled by ChemComm

We are currently facing two related, critical challenges – the need for increasing energy production and the environmental issues associated with the production of this energy. Thus the pursuit of sustainable and low-carbon energy solutions is a pressing necessity.¹ Among the alternative energy sources available to us, solar energy is particularly attractive as it is free, abundant and sustainable. Feasible approaches to harness solar energy include converting it into electrical energy through photovoltaics or into chemical energy via photocatalysis.^1,2 Therefore, the development of photovoltaic and photocatalytic technologies is of great importance. In the last 20 years, perovskite materials have been widely researched for a variety of optical, electrical and photocatalytic applications,^3,4 and have emerged as “star” materials especially in solar cells and photocatalysis due to their excellent optoelectronic properties, tunable band structure and efficient carrier dynamics.^5,6

Chemical Communications (ChemComm) has provided the scientific community with the latest developments in perovskite-based materials and devices. One memorable example is the article “Flexible, low-temperature, solution processed ZnO-based perovskite solid state solar cells” published by Mathews’ team in 2013.⁷ Inspired by the landmark work published by Kojima et al.,⁸ organic–inorganic perovskites had become prominent materials in solar cells, but the high processing temperature for these solar cells increased the production costs and limited the fabrication of flexible devices. As a significant breakthrough, the communication presented a simple methodology to prepare perovskite solar cells using low-temperature processes, with the hole-blocking layer being an electrodeposited compact ZnO layer and perovskite-loaded ZnO nanorods transporting electrons. Remarkable power conversion efficiencies of 8.90% were achieved on rigid fluorine-doped tin-oxide-coated substrates and 2.62% on flexible indium-tin-oxide-coated polyethylene terephthalate substrates. This innovative preparation of high-efficiency flexible solar cells was immediately cited by numerous high-impact papers,^9–12 and motivated our research group to explore new directions for improving perovskite solar cells developing a stable TiO₂/perovskite solar cell with an efficiency of 13.4%.¹³

Compared to photovoltaic applications, the use of perovskites in photocatalysis has a longer history. One ideal perovskite for photocatalytic water splitting is SrTiO₃, with an electronic band structure conducive to strong redox potentials, anisotropic crystal facets favouring charge separation, photo-induced surface-active centres, low-cost and long-term stability.¹⁴ Although extensive research efforts have focused on modifying SrTiO₃ to achieve better photocatalytic efficiency, developing visible-light-active SrTiO₃ is still challenging. In 2014, a highly significant article was published in ChemComm by Kudo’s team, laying a solid foundation for the future development of visible-light-driven metal oxide photocatalysts for hydrogen production and the design of highly efficient SrTiO₃.¹⁵ In this work, the IrO₂-loaded SrTiO₃:Rh,Sb achieved 0.1% of the apparent quantum yield at the wavelength of 420 nm and showed activities up to 500 nm for the first time. In addition to the cation modification, Domen's team published another impactful article in ChemComm a year later, investigating the effects of anion modification and variation of A-site ion size of CaTaO₂N on the absorption edge.¹⁶ In this work, the absorption wavelength was extended to 660 nm, enabling the utilization of a broader portion of the solar visible spectrum. These innovative methods of co-dopant modification and loading of a metal oxide co-catalyst enable the band structure of perovskites to be modified without reducing photocatalytic efficiency, and have been widely referenced and employed.^17–21 This also guided our research, contributing to our understanding of the structure–photoactivity relations and the establishment of machine learning models for visible-light water splitting catalyst exploration.²² Another influential approach uses the ferroelectric properties of perovskite nanoparticles (e.g., PbTiO₃) to enhance charge separation, thereby achieving better photoactivity.^23,24

While halide perovskites are widely applied in solar cells due to their highly tuneable bandgap, significant absorption coefficient, and rapid charge mobility, they are drawing increased attention in photocatalysis as well. This includes hydrogen production, pollutant degradation, CO₂ reduction and green organic synthesis.¹ChemComm remains a reliable source for the cutting-edge developments of halide perovskite photocatalysts, with a distinct focus on lead-free perovskites.^25,26 In particular, a Feature Article by Li's team in ChemComm highlighted the role of halide perovskites in C(sp³)–H bond activation, providing an efficient, economical and environmentally friendly pathway to overcome hurdles in traditional thermochemical catalysis for the production of value-added oxygenates.²⁷ Based on this article, we designed an efficient halide perovskite-based heterojunction,²⁸ and developed a series of lead-free halide perovskites as active components,^29,30 to selectively generate benzaldehyde by toluene oxidation at room temperature and normal pressure. These halide perovskites showed good efficiencies indicating their future potential in the sustainable production of a spectrum of organic compounds.

Throughout our nearly 20-year research journey shown by these few examples, ChemComm has been a source of research inspiration, guiding our research direction and contributing a theoretical foundation and data support for our studies. Currently, the combination of vast amounts of data and state-of-the-art algorithms has led to the emergence of revolutionary approaches using artificial intelligence (AI), and we are seeing this impact research. A Feature Article in ChemComm focusing on indoor photovoltaics anticipates that AI will identify Pb-free perovskite-inspired materials composed of earth-abundant elements of low toxicity and predict their stability, based on existing research on perovskite-based solar cells.³¹ In regard to solar fuels and environmental remediation, AI has notably emerged, especially in materials development, experiment optimization and structure–property relationship analysis.^32–35ChemComm has once again promptly furnished our research with the latest AI advancements in perovskite materials, as well as systematic overviews and guidelines for AI technology in solar fuel synthesis and photocatalysis.^36–38 With ongoing input from researchers through ChemComm publications, we expect that this decade will see a deeper integration of AI with research in chemistry, lighting up the future of perovskite photovoltaics and photocatalysis.

RAC acknowledges the Australia Research Council Discovery Project scheme for funding (DP220100945).

Conflicts of interest

There are no conflicts to declare.

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