Deliverables Documents, reports (14) Report on in-situ observations of catalyst structure and localized activity using electrochemical AFM system This deliverable will report on in-situ observations of catalyst structure and localized activity using electrochemical AFM system as described in Task 4.2 The report will show how activity varies as a function of the localized structure of the catalyst, and determine how and if the catalyst surface restructures under different conditions. Technical Consistency Plan This task involves the creation and management of a TCP, which is essential for integrating the various WPs to allow for synergistic results. The TCP will create: • Standardizing of different types of catalysis testing relating to testing in H-cell, gas diffusion electrode, and membrane electrode assembly. • Standardized testing sequences of catalysis (chronamperometry, chromoptentiometry, etc.) • Standardization protocols relating to ionomer, ionomer concentration and membranes. • Standardization protocols relating to purity in electrolytes, gases, equipment, etc. • Standardization protocols relating to current density and conversion in relation to matching modeling and experimental • Standardizing of anode electrodes • Other standardizing procedures that WP leaders feel necessary Report on benchmark of GDE from CO2 to Carbon monoxide, ethanol and ethylene This deliverable will be a report on the benchmark activity of the gas diffusion layers for CO, ethanol, and ethylene as described in Task 5.1. This will show how variation in gas diffusion layer effects performance. Pathways towards CO, ethylene, ethanol on Cu facets This deliverable will report on mechanistic pathways towards CO, ethylene, ethanol on Cu facets using computational modeling. This approach is described in detail in Task 7.4 Project Management Plan The PMP wil be a document that includes a formalized procedure for report preparation and delivery linked to the SC. The ISO project management system will be applied to this project to ensure quality standards are met. This is done by establishing and following a set of procedures that ensure implementation according to the schedule, processes and standards defined in the PMP. The PMP will also define the necessary resources and their use, as well as the standards the procedures for the implementation of quality assurance. Report on the impact of reaction intermediates on ECO2R selectivity towards ethylene This deliverable will report on the impact of reaction intermediates on ECO2R selectivity towards ethylene via the approach described in Task 4.1. Various intermediates will be inserted into an ECO2R reactor and the catalytic activity and product distribution will be measured. Report on promising M-N-C catalyst activity showing progress toward WP targets This deliverable will report on promising M-N-C catalyst activity showing progress toward WP targets as described in Task 2.3 and Task 2.4. This report will show how improved functionality increases activity. Report on Sniffer Chip discoveries relating to ethanol/ethylene branching mechanism This deliverable will report on Sniffer Chip discoveries relating to ethanol/ethylene branching mechanism as described in Task 3.2. Results from low current density tests with the goal of giving insight into which conditions favor either ethanol or ethylene production. Library of digitalized porous electrodes This deliverable will provide a report on the creation of a library of digitalized porous electrodes as described in Task 7.1. This will allow for modeling of mass transfer flow throughout the electrode. First update of Project Management Plan All partners will review the project management plan. The plan will be updated where necessary. Report on Co-catalyst approach towards ethanol production This deliverable will report on Co-catalyst approach towards ethanol production. Co-catalysts such as Ag and/or Au will be intermixed with Cu with the goal of achieving higher ethanol production Report on benchmarking of initial AEM’s This deliverable will report on benchmarking of initial AEM’s as described in Task 6.3. The AEM's will be tested for CO2 crossover and ohmic resistance losses. Report on site density and turn over frequency of selected benchmark catalysts This report will describe the site density and turn over frequency of selected benchmark catalysts from Task 2.1 The active sites of the M-N-C type catalysts will be identified using XAS and XPS, while the SD and TOF values will be evaluated using literature-established methods such as low temperature CO chemisorption, and the combined BET and XPS quantifications (developed at TUB). We will assess how the characteristic methodologies correlate with each other. These, in combination with the H-cell delivered electrochemical performance, will be used as a baseline to guide the needs to either increase the SD or TOF for reaching the activity targets of the call, to better assess the activity improvements of the new M-N-C catalysts prepared in Task 2.3, and to establish a common base level activity to compare the newly developed catalysts to the catalytic activity and selectivity. Report on DFT prediction of selected benchmark catalysts This deliverable will report on DFT prediction of selected benchmark catalysts as described in Task 2.1. Specifically reaction energetics determined using GGA functionals will be benchmarked against hybrid functionals and truncated cluster calculations using coupled cluster methods for a range of representative systems Solvation energies as well as adsorbate-field interactions determined with implicit solvent calculations will be benchmarked and fitted against fully explicit ab initio molecular dynamics simulations Websites, patent fillings, videos etc. (2) Implementation of a project website This deliverable will create and implement a project website as described in Task 9.3. This will be the main dissemination channel towards the scientific community and the public. It will provide news and information on project publications with a link to open-access documents and other project output. Design of a project visual identity set This deliverable will provide a design of the project visual identity set and project templates (presentations, logo). This will be done working with all partners to ensure the optimal identity is created to promote this project. Demonstrators, pilots, prototypes (1) Benchmarking gas diffusion layers delivered to TUB, DTU, TUD This deliverable will be the physical delivery of gas diffusion layers produced at IDN and delivered to TUB, DTU, and TUD. All 3 partners will acknoweldge they received the gas diffusion layers and they are in a condition in which they can be tested. Publications Peer reviewed articles (25) In operando investigations of oscillatory water and carbonate effects in MEA-based CO2 electrolysis devices Author(s): Moss, AB Garg, S. Mirolo, M. Giron Rodriguez, C.A. Ilvonen, R. Chorkendorff, I. Drnec, J. Seger, B. Published in: Joule, Issue 7, 2, 2023, Page(s) 350-365, ISSN 2542-4351 Publisher: Elsevier DOI: 10.1016/j.joule.2023.01.013 The mechanism for acetate formation in electrochemical CO<sub>(2)</sub> reduction on Cu:selectivity with potential, pH, and nanostructuring Author(s): Hendrik H. Heenen; Haeun Shin; Georg Kastlunger; Sean Overa; Joseph A. Gauthier; Feng Jiao; Karen Chan Published in: Energy & Environmental Science, Issue 2, 2022, Page(s) 3978-3990, ISSN 1754-5692 Publisher: Royal Society of Chemistry DOI: 10.1039/d2ee01485h Force-based method to determine the potential dependence in electrochemical barriers Author(s): Sudarshan Vijay, Georg Kastlunger, Joseph A. Gauthier, Anjli Patel, and Karen Chan Published in: Journal of Physical Chemistry Letters, Issue 13, 25, 2022, Page(s) 5719–5725, ISSN 1948-7185 Publisher: American Chemical Society DOI: 10.1021/acs.jpclett.2c01367 Covalent Organic Framework (COF) derived Ni-N-C Catalysts for Electrochemical CO2 Reduction: unraveling fundamental kinetic and structural parameters of the active sites Author(s): . Li, W. Ju, S. Vijay, J. Timoshenko, K. Mou, D. A. Cullen, J. Yang, X. Wang, P. Pachfule, S. Brückner, H. Sang Jeon, F. T. Haase, S.-C. Tsang, C. Rettenmaier, K. Chan, B. Roldan Cuenya, A. Thomas, P. Strasser Published in: Angew. Chem. Int. Ed, 2022, ISSN 1097-0037 Publisher: Wiley Online Library DOI: 10.1002/anie.202114707 Modulating electric field distribution by alkali cations for CO2 electroreduction in strongly acidic medium Author(s): Jun Gu, Shuo Liu, Weiyan Ni, Wenhao Ren, Sophia Haussener & Xile Hu Published in: Nature Catalysis, 2022, ISSN 2520-1158 Publisher: Nature Publishing Group DOI: 10.1038/s41929-022-00761-y How to extract adsorption energies, adsorbate-adsorbate interaction parameters, and saturation coverages from temperature programmed desorption experiments Author(s): S. Vijay, H. H. Kristoffersen, Y. Katayama, Y. Shao Horn, I. Chorkendorff, B. Seger, K. Chan Published in: Phys. Chem. Chem. Phys, Issue 23, 2021, Page(s) 24396-24402, ISSN 1463-9084 Publisher: Royal Society of Chemistry DOI: 10.1039/d1cp01992a 2022 roadmap on low temperature electrochemical CO2 reduction Author(s): Ifan E L Stephens, Karen Chan, Alexander Bagger, Shannon W Boettcher, Julien Bonin, Etienne Boutin, Aya K Buckley, Raffaella Buonsanti, Etosha R Cave, Xiaoxia Chang, See Wee Chee, Alisson H M da Silva, Phil de Luna, Oliver Einsle, Balázs Endrődi, Maria Escudero-Escribano, Jorge V Ferreira de Araujo, Marta C Figueiredo, Christopher Hahn, Kentaro U Hansen, Sophia Haussener, Sara Hunegnaw, Ziyang H Published in: Journal of Physics: Energy, 2022, Page(s) 4-77, ISSN 1029-8479 Publisher: Institute of Physics Publishing DOI: 10.1088/2515-7655/ac7823 Computational Screening of Single and Di-Atom Catalysts for Electrochemical CO<sub>2</sub> Reduction Author(s): Naiwrit Karmodak; Sudarshan Vijay; Georg Kastlunger; Karen Chan Published in: ACS Catalysis, Issue 2, 2022, Page(s) 4818−4824, ISSN 2155-5435 Publisher: American Chemical Society DOI: 10.1021/acscatal.1c05750 How membrane characteristics influence the performance of CO2 and CO electrolysis Author(s): Garg, S.; Giron Rodriguez, C.A.; Rufford, T.E.; Varcoe, J.R.; Seger, B. Published in: Energy and Environmental Science, Issue 15, 2022, Page(s) 4440-4469, ISSN 1754-5692 Publisher: Royal Society of Chemistry DOI: 10.1039/d2ee01818g Influence of Headgroups in Ethylene-Tetrafluoroethylene-Based Radiation-Grafted Anion Exchange Membranes for CO2 Electrolysis Author(s): Carlos A. Giron Rodriguez, Bjørt Óladottir Joensen, Asger Barkholt Moss, Gastón O. Larrazábal, Daniel K. Whelligan, Brian Seger*, John R. Varcoe*, and Terry R. Willson Published in: ACS Sustainable Chemical Engineering, Issue 11, 4, 2023, Page(s) 1508–1517, ISSN 2168-0485 Publisher: American Chemical Society DOI: 10.1021/acssuschemeng.2c06205 Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction Author(s): Georg Kastlunger, Hendrik H. Heenen, and Nitish Govindarajan Published in: ACS Catalysis, 2023, Page(s) 5062-5072, ISSN 2155-5435 Publisher: American Chemical Society DOI: 10.1021/acscatal.3c00228 The product selectivity zones in gas diffusion electrodes during the electrocatalytic reduction of CO2 Author(s): Tim Möller, Trung Ngo Thanh , Xingli Wang, Wen Ju, Zarko Jovanov and Peter Strasser Published in: Energy and Environmental Science, Issue 14, 2021, Page(s) 5995-6006, ISSN 1754-5692 Publisher: Royal Society of Chemistry DOI: 10.1039/d1ee01696b Cation-driven increases of CO2 utilization in a bipolar membrane electrode assembly for CO2 electrolysi Author(s): K. Yang, M. Li, S. Subramanian, M. A. Blommaert, W. A. Smitha, T. Burdyny Published in: ACS Energy Letter, Issue 6, 12, 2021, Page(s) 4291–4298, ISSN 2380-8195 Publisher: ACS DOI: 10.1021/acsenergylett.1c02058 Design of NiNC single atom catalyst layers and AEM electrolyzers for stable and efficient CO2-to-CO electrolysis: Correlating ionomer and cell performance Author(s): J. Wang, T. R. Willson, S. Brückner, D. K. Whelligan, C. Sun, Li. Liang, X. Wang, P. Strasser, J. Varcoe, and W. Ju Published in: Electrochimica Acta, 2023, ISSN 0013-4686 Publisher: Pergamon Press Ltd. DOI: 10.1016/j.electacta.2023.142613 A Comprehensive Approach to Investigate CO 2 Reduction Electrocatalysts at High Current Densities Author(s): Gastón O. Larrazábal, Ming Ma, Brian Seger Published in: Accounts of Materials Research, Issue 2/4, 2021, Page(s) 220-229, ISSN 2643-6728 Publisher: American Chemical Society DOI: 10.1021/accountsmr.1c00004 CO2 Electrolysis via Surface-Engineering Electrografted Pyridines on Silver Catalysts Author(s): Maryam Abdinejad, Erdem Irtem, Amirhossein Farzi, Mark Sassenburg, Siddhartha Subramanian, Hugo-Pieter Iglesias van Montfort, Davide Ripepi, Mengran Li, Joost Middelkoop, Ali Seifitokaldani*, and Thomas Burdyny Published in: ACS Catalysis, Issue 12, 13, 2022, Page(s) 7862–7876, ISSN 2155-5435 Publisher: American Chemical Society DOI: 10.1021/acscatal.2c01654 n Situ Analysis of the Facets of Cu-Based Electrocatalysts in Alkaline Media Using Pb Underpotential Deposition Author(s): Degenhart Hochfilzer, Aarti Tiwari, Ezra L. Clark, Anton Simon Bjørnlund, Thomas Maagaard, Sebastian Horch, Brian Seger, Ib Chorkendorff, and Jakob Kibsgaard Published in: Langmuir, 2022, Page(s) 1514-1521, ISSN 0743-7463 Publisher: American Chemical Society DOI: 10.1021/acs.langmuir.1c02830 Unified mechanistic understanding of CO2 reduction to CO on transition metal and single atom catalysts Author(s): Sudarshan Vijay, Wen Ju, Sven Brückner, Sze-Chun Tsang, Peter Strasser & Karen Chan Published in: Nature Catalysis, Issue 4, 2021, Page(s) 1024–1031, ISSN 2520-1158 Publisher: Nature DOI: 10.1038/s41929-021-00705-y Best practices for electrochemical reduction of carbon dioxide Author(s): Brian Seger, Marc Robert & Feng Jiao Published in: Nature Sustainability, 2023, Page(s) 236-238, ISSN 2398-9629 Publisher: Springer Nature DOI: 10.1038/s41893-022-01034-z Role of ion-selective membranes in the carbon balance for CO 2 electroreduction via gas diffusion electrode reactor designs Author(s): Ming Ma, Sangkuk Kim, Ib Chorkendorff, Brian Seger Published in: Chemical Science, Issue 11/33, 2020, Page(s) 8854-8861, ISSN 2041-6520 Publisher: Royal Society of Chemistry DOI: 10.1039/d0sc03047c Using pH Dependence to Understand Mechanisms in Electrochemical CO Reduction Author(s): Georg Kastlunger, Lei Wang, Nitish Govindarajan, Hendrik H. Heenen, Stefan Ringe, Thomas Jaramillo, Christopher Hahn, and Karen Chan Published in: ACS Catalysis, Issue 12, 8, 2022, Page(s) 4344–4357, ISSN 2155-5435 Publisher: American Chemical Society DOI: 10.1021/acscatal.1c05520 Highly selective and scalable CO2 to CO - Electrolysis using coral-nanostructured Ag catalysts in zero-gap configuration Author(s): Woong Hee Lee, Young-Jin Ko, Yongjun Choi, Si Young Lee, Chang Hyuck Choi, Yun Jeong Hwang, Byoung Koun Min, Peter Strasser, Hyung-Suk Oh Published in: Nano Energy, Issue 76, 2020, Page(s) 105030, ISSN 2211-2855 Publisher: Elsevier BV DOI: 10.1016/j.nanoen.2020.105030 Enriching Surface Accessible CO2 in the Zero Gap Anion Exchange Membrane Based CO2 Electrolyzer Author(s): Xu, Q.; Xu, A.; Garg, S.; Moss, A.; Chorkendorff, I.; Bligaard, T.; Seger. B. Published in: Angewandte International, Issue 135, 3, 2022, Page(s) e202214383, ISSN 1433-7851 Publisher: John Wiley & Sons Ltd. DOI: 10.1002/ange.202214383 Limits to scaling relations between adsorption energies? Author(s): Sudarshan Vijay, Georg Kastlunger, Karen Chan, and Jens K. Nørskov Published in: The Journal of Chemical Physics, Issue 156, 23, 2022, Page(s) 231102, ISSN 0021-9606 Publisher: American Institute of Physics DOI: 10.1063/5.0096625 Interaction of CO with Gold in an Electrochemical Environment Author(s): S. Vijay, T. V. Hogg, J. Ehlers, H. H. Kristoffersen, Y. Katayama, Y. Shao Horn, I. Chorkendorff, K. Chan, B. Seger Published in: J. Phys. Chem. C, Issue 125, 32, 2021, Page(s) 17684-17689, ISSN 1932-7447 Publisher: American Chemical Society DOI: 10.1021/acs.jpcc.1c04013 Searching for OpenAIRE data... There was an error trying to search data from OpenAIRE No results available
