High-Throughput Strategies for Accelerated Discovery and Mechanistic Understanding of Photoelectrocatalytic Materials
Raffaelo Mazzaro a
a Department of Physics and Astronomy, University of Bologna, Via Berti Pichat 6/2, 40127 Bologna (IT).
Proceedings of MATSUS Fall 2026 Conference (MATSUSFall26)
E1 Solar-driven systems for renewable fuels and chemical generation; Towards viable Solar fuels technology
Palma, Spain, 2026 October 26th - 30th
Organizers: Sudhanshu Shukla and Francesca Toma
Oral, Raffaelo Mazzaro, presentation 404
Publication date: 22nd July 2026

High-throughput methods offer a powerful strategy to accelerate the development of electro- and photoelectrocatalytic materials by enabling the rapid exploration of compositional, structural, and processing parameters. In this work, we present an integrated approach based on the fabrication of materials libraries with controlled gradients, combined with spatially resolved electrochemical and photoelectrochemical screening. This methodology allows multiple material configurations to be investigated within a single sample, reducing experimental time while providing direct structure–performance correlations.

The versatility of the approach is demonstrated through selected application examples. Ti-modified hematite photoanodes are investigated as model photoanodes for water oxidation, with high-throughput screening used to correlate annealing temperature, Ti concentration, and deposition sequence with photocurrent response and charge-transfer behavior (1). In a second example, Cu-based cathode architectures are explored for electro- and photoelectrochemical CO₂ reduction, including Cu₂O-based multilayers and mixed Cu-containing systems designed to tune charge transport, interfacial properties, and catalytic activity. Finally, Si-based photocathodes coated with insulating layers of gradually increasing thickness are used to study thickness-dependent effects at the semiconductor–electrolyte interface, to quantitatively monitor the photovoltage in the operating photoelectrode and the associated potential losses (2). This example highlights how high-throughput sample design can support systematic mechanistic investigations, beyond simple activity screening.

Overall, the proposed high-throughput strategy provides a flexible platform to connect synthesis, interface engineering, and functional performance in complex photoelectrochemical systems. By guiding targeted characterization and accelerating the identification of optimal materials architectures, it supports the rational design of improved catalysts and photoelectrodes for solar fuel production, water splitting, and CO₂ conversion.

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