Publication date: 28th August 2024
The electrochemical CO2 reduction reaction (CO2RR) is deemed to play an important role in future carbon neutrality by using renewable energy as a driving force to convert CO2 into valuable products, including single-carbon (C1) and multicarbon (C2+) species. However, electrocatalysts with high activity and selectivity for the desired products are required for industrial-scale applications. CO dimerization on the Cu(100) surface is considered a key intermediate to produce C2+ compounds at low overpotential and, for this reason, it has been intensively studied both via experiments and simulations. Cu alloying provides a promising approach to enhance activity and selectivity toward C2+ products compared to pristine Cu. In this work, both kinetics and thermodynamics of CO dimerization on Cu/M(100) alloy surfaces are investigated using density functional theory simulations at constant potential, by including an explicit water layer wetting the catalyst surface. Our results allow identifying scaling relations for this reaction step by varying the metal species in the alloy and help the rational design of more efficient and selective copper-based catalysts.
This project has received funding from the EU’s Horizon 2021 programme under the Marie Skłodowska-Curie Doctoral Networks (MSCA-DN) grant agreement No 101072830. All authors acknowledge CINECA for the availability of high-performance computing resources under the ISCRA initiative.
nanoGe is a prestigious brand of successful science conferences that are developed along the year in different areas of the world since 2009. Our worldwide conferences cover cutting-edge materials topics like perovskite solar cells, photovoltaics, optoelectronics, solar fuel conversion, surface science, catalysis and two-dimensional materials, among many others.
Previously nanoGe Spring Meeting (NSM) and nanoGe Fall Meeting (NFM), MATSUS is a multiple symposia conference focused on a broad set of topics of advanced materials preparation, their fundamental properties, and their applications, in fields such as renewable energy, photovoltaics, lighting, semiconductor quantum dots, 2-D materials synthesis, charge carriers dynamics, microscopy and spectroscopy semiconductors fundamentals, etc.
International Conference on Hybrid and Organic Photovoltaics
International Conference on Hybrid and Organic Photovoltaics (HOPV) is celebrated yearly in May. The main topics are the development, function and modeling of materials and devices for hybrid and organic solar cells. The field is now dominated by perovskite solar cells but also other hybrid technologies, as organic solar cells, quantum dot solar cells, and dye-sensitized solar cells and their integration into devices for photoelectrochemical solar fuel production.
Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics
The main topics of the Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP) are discussed every year in Asia-Pacific for gathering the recent advances in the fields of material preparation, modeling and fabrication of perovskite and hybrid and organic materials. Photovoltaic devices are analyzed from fundamental physics and materials properties to a broad set of applications. The conference also covers the developments of perovskite optoelectronics, including light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.
The International Conference on Perovskite Thin Film Photovoltaics Perovskite Photonics and Optoelectronics (NIPHO) is the best place to hear the latest developments in perovskite solar cells as well as on recent advances in the fields of perovskite light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.