Data underlying in the publication: Spatial reactant distribution in CO2 electrolysis: balancing CO2 utilization and faradaic efficiency

The objective of this research work was to estimate trade-offs in CO2RR selectivity and CO2 utilization in a zero gap CO2 electrolyzer. At higher reaction rates, CO2 concentration changes at the catalyst surface from the inlet to the outlet due to consumption and electrochemical production of CO. To estimate operating feed rates and calculate reactant concentrations, we used a combined experimental and transport model. Experiments were conducted using a Ag sputtered on a carbon GDL in an anion exchange membrane CO2 eelctrolyzer. Inlet CO2 flowrates were modified from 10 to 50 sccm and products obtained during electrolysis were quantified using Gas chromatography (GC) and HPLC analysis. The dataset attached herein contains two folders: 1. Experimental results of product selectivity of Ag catalysts at different reactant flow rates. 2. Modelling results of CO2 concentration at the cathode side of the electrolyzer which were computed using COMSOL Multiphysics.

本研究旨在评估零间隙二氧化碳电解槽（zero gap CO2 electrolyzer）中二氧化碳还原反应（CO2RR）的选择性与二氧化碳利用率之间的权衡关系。当反应速率较高时，由于二氧化碳的消耗与一氧化碳的电化学生成，催化剂表面的二氧化碳浓度会随气流从入口到出口发生变化。为估算最优进料速率并计算反应物浓度，我们结合实验与输运模型开展了相关研究。实验采用溅射有银（Ag）的碳基气体扩散层（Gas Diffusion Layer, GDL）作为阴极，搭建阴离子交换膜二氧化碳电解槽进行。实验中入口二氧化碳流速设置为10至50标准立方厘米每分钟（standard cubic centimeters per minute, sccm），电解过程中生成的产物通过气相色谱法（Gas chromatography, GC）与高效液相色谱法（High Performance Liquid Chromatography, HPLC）进行定量分析。本附件所附数据集包含两个文件夹：1. 不同反应物流速下银催化剂的产物选择性实验结果；2. 采用COMSOL多物理场（COMSOL Multiphysics）仿真软件计算得到的电解槽阴极侧二氧化碳浓度建模结果。