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Selective Electrochemical Reduction of CO2 to High Value Chemicals

Deliverables

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

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.

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

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
DOI: 10.1021/accountsmr.1c00004

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
DOI: 10.1039/d0sc03047c

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
DOI: 10.1016/j.nanoen.2020.105030

Software

Model for Acetate Selectivity & CO(2)RR data sets

Author(s): Heenen, Hendrik H.; Kastlunger, Georg; Shin, Haeun; Overa, Sean; Gauthier, Joseph A.; Jiao, Feng; Chan, Karen
DOI: oai:zenodo.org:5013854; 10.5281/zenodo.5013854
Publisher: Zenodo