Replication Data for: Interplay of Local pH and Cation Hydrolysis during Electrochemical CO2 Reduction Visualized by In Operando Chemical Shift-Resolved Magnetic Resonance Imaging

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	0.1M_KHCO3_1.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 0 Downloads SHA-256: 58419cda1b65238cfc1c169c4b5bf1ed8d27fa807e00e0f784731deedff6a657	Download
	0.1M_KHCO3_2.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 0 Downloads SHA-256: 28c07ef9f8911f9fa15cd2117f85c4387d0edb50c77a98d53273b15b883aa6c1	Download
	0.1M_KHCO3_3.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 1 Download SHA-256: a5e484de4ed7f6ec92e0656b5286fe8672c1e2f5f0e961f069c56d6b5fb809c1	Download
	0.1M_NaHCO3_1.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 0 Downloads SHA-256: ab8ab454caf74af764ecf3d50800ac8a3a078b0c93f4b4ba4eeac4bdb3711f3e	Download
	0.1M_NaHCO3_2.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 1 Download SHA-256: 490fe952828ffcbcc08365dabfae375d7b9c9a5840912987674557e0f59d02be	Download
	0.1M_NaHCO3_3.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 0 Downloads SHA-256: a9414ef6768d71bccfea56bde8ce54f2303a8e71a423aee3596cd3ee557b8a3d	Download
	0.5M_KHCO3_1.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 0 Downloads SHA-256: 9b596c693ad21df1725fa67ebcdf8507828ac450d7b7cff6967911b8e5d95d25	Download
	0.5M_KHCO3_2.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 0 Downloads SHA-256: 1e41f4951187daac864b0035dedf3e4e6c826a6697c8091bd7705d3f30848ae7	Download
	0.5M_KHCO3_3.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 0 Downloads SHA-256: 86dc3f61874d2b73ccf90faf081c9e42ea5ef6c3d0f93147969777fcbc31a9fc	Download
	0.5M_NaHCO3_1.txt ECLabData/ Plain Text - 1.0 MB - Jun 25, 2024 - 0 Downloads SHA-256: 4d05c7afac34fcc4511f6284917204ce9d106405890bb5d2d9de5eecf4d66325	Download

Citation Metadata

Dataset Persistent ID	doi:10.26165/JUELICH-DATA/DNBEIN
Publication Date	2024-06-25
Title	Replication Data for: Interplay of Local pH and Cation Hydrolysis during Electrochemical CO2 Reduction Visualized by In Operando Chemical Shift-Resolved Magnetic Resonance Imaging
Author	Schatz, Michael (IEK-9 Forschungszentrum Jülich, ITMC RWTH Aachen) - ORCID: 0000-0002-5287-8769 Kochs, Johannes (IEK-9 Forschungszentrum Jülich) - ORCID: 0009-0001-9092-8229 Jovanovic, Sven (IEK-9 Forschungszentrum Jülich) - ORCID: 0000-0002-1227-4936 Eichel, Rüdiger-A. (IEK-9 Forschungszentrum Jülich, IPC RWTH Aachen) - ORCID: 0000-0002-0013-6325 Granwehr, Josef (IEK-9 Forschungszentrum Jülich, ITMC RWTH Aachen) - ORCID: 0000-0002-9307-1101
Contact	Use email button above to contact. Schatz, Michael (IEK-9 Forschungszentrum Jülich, ITMC RWTH Aachen) Granwehr. Josef (IEK-9 Forschungszentrum Jülich, ITMC RWTH Aachen)
Description	Electrochemical data acquired with BioLogic software EC-Lab and NMR data acquired with Bruker software TopSpin during in operando CO2 electroreduction experiments, described in the publication: Schatz M. et al.: Interplay of Local pH and Cation Hydrolysis during Electrochemical CO 2 Reduction Visualized by In Operando Chemical Shift-Resolved Magnetic Resonance Imaging, J. Phys. Chem. C, 127 (38), p. 18986–18996 (2023). The Cu-catalyzed electrochemical CO2 reduction enables the conversion of greenhouse gas emissions to fuels or platform chemicals with prospects of storing intermittent energy from renewable sources. While current research in tuning catalyst activity and product selectivity is often mired in finding electrode engineering solutions, the importance of electrolyte engineering is mostly overlooked. This study presents a method for measuring local pH profiles in electrode proximity and correlating them to cation-induced buffering effects. Magnetic resonance imaging (MRI) techniques were applied to evaluate the local pH values using spatially resolved 13C resonances of the CO2/HCO3–/CO32– equilibrium. This replication data set provides the raw data from the software TopSpin of 13C and 23Na Chemical Shift Imaging (CSI) measurements of 0.1M, 0.5M and 1M NaHCO3 and KHCO3 electrolytes during CO2 electroreduction. Additionally, the electrochemical raw data from BioLogic EC-Lab for the respective in operando measurements are given. Description of folder contents (switch to tree view): ECLabData: The raw data from EC-Lab were imported by Python package galvani (https://pypi.org/project/galvani/) for BioLogic files and exported in ASCII files. Text files are named according the scheme: X_Y_Z X: Initial electrolyte concentration. 0.1, 0.5 or 1 mol/L. Y: Type of electrolyte. KHCO3 or NaHCO3. Z: Repitition of experiment. 1, 2 or 3. NMRData: The raw data is stored in two archive files. Replication_NMRData_K.7z contains all data from experiments with KHCO3 electrolytes. Replication_NMRData_Na.7z contains all data from experiments with NaHCO3 electrolytes. Data folders are named according the scheme: X_Y_Z X: Cation identity of electrolyte. K = KHCO3 or Na = NaHCO3. Y: Initial electrolyte concentration. 0.1, 0.5 or 1 mol/L. Z: Repitition of experiment. 1, 2 or 3. (2024-04-24)
Subject	Chemistry; Engineering; Physics
Related Publication	Schatz M. et al.: Interplay of Local pH and Cation Hydrolysis during Electrochemical CO 2 Reduction Visualized by In Operando Chemical Shift-Resolved Magnetic Resonance Imaging, J. Phys. Chem. C, 127 (38), p. 18986–18996 (2023). doi: https://doi.org/10.1021/acs.jpcc.3c03563
Contributor	Data Collector : Schatz, Michael Data Collector : Kochs, Johannes Supervisor : Jovanovic, Sven Supervisor : Eichel, Rüdiger-A. Project Leader : Granwehr, Josef
Grant Information	German Research Foundation (DFG): 390919832
Depositor	Schatz, Michael
Deposit Date	2024-04-26
Software	TopSpin, Version: 3.6.2 Python, Version: 3.8.3 EC-Lab, Version: 11.31

FZJ Metadata

Institute	IEK-9
PoF IV topic	Power-based Fuels and Chemicals (POF4-1232)

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