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Optimised Halide Perovskite nanocrystalline based Electrolyser for clean, robust, efficient and decentralised pRoduction of H2

Periodic Reporting for period 1 - OHPERA (Optimised Halide Perovskite nanocrystalline based Electrolyser for clean, robust, efficient and decentralised pRoduction of H2)

Reporting period: 2022-10-01 to 2023-09-30

Photoelectrochemical (PEC) hydrogen generation, using water as proton and electron source, is considered one of the most impactful solar-driven processes to tackle the energy, environment, and climate crisis, providing a circular economy strategy to supply green energy vectors (H2) with zero carbon footprint. Aligning with this view, OHPERA aims to develop a proof-of-concept unbiased tandem PEC cell to simultaneously achieve efficient solar-driven H2 production at the cathode and high added-value chemicals from valorization of industrial waste (glycerol) at the anode, being sunlight the only energy input. Thus, OPHERA will demonstrate the viability of producing chemicals with economic benefits starting from industrial waste, using a renewable source of energy.
OPHERA will integrate highly efficient and stable photoelectrodes based on halide lead-free perovskite nanocrystals (PNCs) and tailored catalytic/passivation layers, avoiding the use of critical raw materials (CRM), in a proof-of-concept eco-design PEC device.
Theoretical modelling both at an atomistic and device scales will assist the materials development and mechanistic understanding of the processes, and all materials and components will be integrated in a proof-of-concept device, targeting standalone operation at 10 mA·cm-2 for 100 hours, 90% Faradaic efficiency to H2, and including a clearly defined roadmap for upscaling and exploitation.
OPHERA will offer a dual process to produce green H2 concomitant to the treatment of industrial waste generating added-value chemicals with high economic and industrial interest, thus offering a competitive levelized cost of green H2.
During the first 12 months of the project, all planned activities have started. The development of photoactive materials and photoelectrodes based on lead-free halide perovskite nanocrystals has provided some promising compositions, which will be further evaluated during the next months. Functional photoelectrodes have also been produced and further optimization will be carried out during the next 12 months. On the other hand, in the context of WP2, two new families of C-based electrocatalysts and MOF-based electrocatalysts for the Glycerol Oxidation Reaction has been developed. Preliminary tests of functional performance are promising and further optimization will be carried out in the next reporting period. In parallel with these experimental developments, theoretical calculations have assisted the materials selection for the synthesis of lead-free halide perovskite nanocrystals and a theoretical dataset with detailed structural, optical and electronic properties has been created during the first 12 months of the project. Furthermore, preliminary designs of the tandem photoelectrochemical device have been carried out and Multiphysics modeling of the operation conditions are in progress. All these developments have been carried out integrating eco-design in the whole process.
So far, the obtained results have potential impacts in the energy section and the chemical industry, most specifically on the pharma and food industry. Key needs for further development of the project rely to the stabilization of materials in operation condition and to enhance product selectivity towards high added-value products. We expect to achieve these goals in the next reporting period.
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