Dataset

FZJ-2024-04856

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Replication Data for: Interplay of Local pH and Cation Hydrolysis during Electrochemical CO2 Reduction Visualized by In Operando Chemical Shift-Resolved Magnetic Resonance Imaging

Schatz, M. (Corresponding author)FZJ*RWTH* ; Kochs, J. F.FZJ* ; Jovanovic, S.FZJ* ; Eichel, R.-A.FZJ*RWTH* ; Granwehr, J. (Last author)FZJ*RWTH*

2024
Jülich DATA

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Please use a persistent id in citations: doi:10.26165/JUELICH-DATA/DNBEIN

Abstract: 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.

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Contributing Institute(s):

1. Grundlagen der Elektrochemie (IET-1)

Research Program(s):

1. 1232 - Power-based Fuels and Chemicals (POF4-123) (POF4-123)
2. HITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406) (HITEC-20170406)
3. DFG project 390919832 - EXC 2186: Das Fuel Science Center – Adaptive Umwandlungssysteme für erneuerbare Energie- und Kohlenstoffquellen (390919832) (390919832)

Appears in the scientific report 2024

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