Periodic Reporting for period 1 - ECOMATES (Electrochemical conversion of CO2 into added value products via highly selective bimetallic MATerials and innovative process dESign)
Okres sprawozdawczy: 2023-02-01 do 2025-01-31
ECOMATES (https://www.msca-dn-ecomates.eu(odnośnik otworzy się w nowym oknie)) is a Marie Skłodowska-Curie Doctoral Network tackling the urgent challenge of reducing greenhouse gas emissions and accelerating the transition to climate-neutral energy systems. The project develops innovative electrochemical technologies to convert carbon dioxide (CO2) — a major driver of climate change — into valuable fuels and chemicals. At its core, ECOMATES focuses on bimetallic copper-based catalysts, specifically designed for electrocatalytic CO2 conversion into compounds such as carbon monoxide, formic acid, and ethylene. These catalysts enable efficient and selective reactions under applied voltage, turning waste CO2 into useful building blocks for industry. In parallel, the project advances the development of scalable electrodes, membranes and electrolyzers to ensure the resulting systems are not only scientifically effective but also viable for real-world deployment. This integrated approach — from fundamental research to functional device engineering — is key to creating impactful CO2 utilization solutions. Training is central to ECOMATES. Ten doctoral researchers are working across disciplines — including chemistry, physics, materials science, and engineering — gaining hands-on expertise in CO2 electroreduction, electrocatalysis, and electrochemical system integration. These skills are critical for driving innovation in carbon conversion and clean energy technologies. By advancing CO2 electroreduction, ECOMATES directly supports the European Green Deal and the EU’s vision for carbon neutrality by 2050, promoting sustainable energy conversion, resource efficiency, and circular economy pathways toward a greener, more resilient future.
In the first two years of the project, ECOMATES has made substantial progress in advancing electrochemical technologies for the conversion of CO2 into valuable chemicals. The scientific work has focused on the design of advanced catalysts and membranes, the development of predictive computational tools, operando characterization, and the fabrication of functional electrochemical devices. A central achievement has been the synthesis and testing of copper-based bimetallic catalysts, modified with secondary metals such as zinc, tin, and silver. These materials were produced using controlled techniques including atomic layer deposition, solvothermal synthesis, and electrodeposition. The catalysts were integrated into gas diffusion electrodes and membrane electrode assemblies (MEAs) and evaluated for their selectivity toward products such as formate, carbon monoxide, and ethylene. Faradaic efficiencies exceeding 95% for CO2 conversion were achieved in some cases. In parallel, the project developed computational models based on density functional theory (DFT) and machine learning (ML) to predict the binding energies and stability of various catalyst configurations. These tools guided experimental efforts and supported the identification of promising compositions such as Cu–Al alloys. To support in-depth catalyst analysis, synchrotron-based X-ray characterization techniques — including operando spectroscopy and imaging — were introduced. In addition, innovative gas diffusion electrodes and ion-exchange membranes were developed, with the aim to maximize the efficiency of the novel catalysts in MEA configuration. A custom-designed electrochemical cell was developed for beamline compatibility, allowing in situ monitoring of catalyst behavior. Finally, ECOMATES progressed in assembling lab-scale electrolyzer prototypes, which are currently being tested to assess stability, efficiency, and scalability. A key development is the fabrication of a three-compartment electrolyzer, specifically designed for high-purity liquid product generation. This device was guided by computational simulations and technoeconomic analysis and has demonstrated robust performance under relevant conditions. These efforts have laid a strong foundation for the next phase of the project, which will focus on catalyst refinement, long-term performance testing, and scaling up device integration.
ECOMATES has delivered several scientific and technical innovations that go beyond current practices in CO2 electroreduction. Rather than targeting incremental advances, the project applies an integrated approach that connects materials discovery with functional device engineering — enabling more efficient and selective carbon conversion technologies. A major advance lies in the development of data-guided bimetallic copper catalysts, designed using machine learning and DFT to improve selectivity toward specific products such as ethylene and formate. This approach reduces reliance on trial-and-error and represents a shift toward more rational catalyst design. The predictive models developed can accelerate future materials screening and optimize catalyst structures for targeted outcomes. Experimentally, the controlled synthesis of Cu-alloy catalysts has yielded product selectivities comparable to benchmarks, while suppressing unwanted side reactions like hydrogen evolution. These results demonstrate the potential for tailoring catalyst surfaces to meet specific reaction goals. On the system level, ECOMATES has introduced a three-compartment electrolyzer design, which enables improved separation of product streams and supports the production of concentrated liquid products. This structure, optimized using computational fluid dynamics and technoeconomic modelling, offers an alternative architecture not commonly adopted in current CO2RR device research. To maximize uptake and impact, the project identifies the need for standardized testing protocols, deeper industry-academic collaboration, and further performance validation under long-term operating conditions. These results not only contribute to academic knowledge, but also support future scale-up, regulatory alignment, and investment decisions around CO2 utilization technologies.