RECOMMENDED README FILE FOR DIGITAL.CSIC DATASETS GENERAL INFORMATION 1. Title of Dataset: Supporting Information for Adv. Funct. Mater., DOI: 10.1002/adfm.202111446 Site-Specific Axial Oxygen Coordinated FeN4 Active Sites for Highly Selective Electroreduction of Carbon Dioxide 2. Authors: Zhang, Ting; Han, Xu; Biset-Peiró, Martí; Li, Jian; Zhang, Xuan; Tang, Peng-Yi; Yang, Bo; Zheng, Lirong; Morante, Javier ; Arbiol, Jordi 3. Date of data collection: N/A 4. Date of data publication on repository: 2022-05-02 5. Geographic location of data collection : N/A 6. Information about funding sources that supported the collection of the data (including research project reference/acronym): ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327.ICN2 was supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706). 7. Recommended citation for this dataset: Zhang, Ting; Han, Xu; Biset-Peiró, Martí; Li, Jian; Zhang, Xuan; Tang, Peng-Yi; Yang, Bo; Zheng, Lirong; Morante, Javier ; Arbiol, Jordi; 2022; Supporting Information for Adv. Funct. Mater., DOI: 10.1002/adfm.202111446 Site-Specific Axial Oxygen Coordinated FeN4 Active Sites for Highly Selective Electroreduction of Carbon Dioxide [Dataset]; John Wiley & Sons; http://doi.org/10.1002/adfm.202111446 SHARING/ACCESS/CONTEXT INFORMATION 1. Usage Licenses/restrictions placed on the data (please indicate if different data files have different usage license): http://creativecommons.org/licenses/by/4.0/ 2. Links to publications/other research outputs that cite the data: N/A 3. Links to publications/other research outputs that use the data: Zhang, Ting; Han, Xu; Biset-Peiró, Martí; Li, Jian; Zhang, Xuan; Tang, Peng-Yi; Yang, Bo; Zheng, Lirong; Morante, Javier ; Arbiol, Jordi. Site-Specific Axial Oxygen Coordinated FeN4 Active Sites for Highly Selective Electroreduction of Carbon Dioxide. http://doi.org/10.1002/adfm.202111446. http://hdl.handle.net/10261/279035 4. Links to other publicly accessible locations of the data: N/A 5. Links/relationships to ancillary data sets: N/A 6. Was data derived from another source? If so, please add link where such work is located: N/A DATA & FILE OVERVIEW 1. File List: Site-Specific_supporting_information.pdf 2. Relationship between files, if important: N/A 3. Additional related data collected that was not included in the current data package: N/A 4. Are there multiple versions of the dataset? If so, please indicate where they are located: N/A METHODOLOGICAL INFORMATION 1. Description of methods used for collection/generation of data: PDF file includes: Materials and methods; XAFS Measurements; XAFS Analysis and Results; Synthesis Methods: Preparation of IRMOF-3; Preparation of ZIF-8; Preparation of Fe-IRMOF-3 and Fe-ZIF-8; Preparation of Disperse Fe-N-C (denoted as O-Fe-N-C and Fe-N-C); Preparation of O-Fe-N-C-Acid; Ink Preparation; Electrochemical Measurement; Calculation Method; DFT Calculations. -- Figures and tables. 2. Methods for processing the data: N/A 3. Instrument- or software-specific information needed to interpret/reproduce the data, please indicate their location: N/A 4. Standards and calibration information, if appropriate: N/A 5. Environmental/experimental conditions: N/A 6. Describe any quality-assurance procedures performed on the data: N/A 7. People involved with sample collection, processing, analysis and/or submission, please specify using CREDIT roles https://credit.niso.org/: N/A 8. Author contact information: Zhang, Ting [ting.zhang@icn2.cat] Li, Jian [jian.li@epfl.ch] Zheng, Lirong [zhenglr@ihep.ac.cn] Arbiol, Jordi [arbiol@icrea.cat] DATA-SPECIFIC INFORMATION: 1. Number of variables: N/A 2. Number of cases/rows: N/A 3. Variable List: N/A 4. Missing data codes: N/A 5. Specialized formats or other abbreviations used: N/A 6. Dictionaries/codebooks used: N/A 7. Controlled vocabularies/ontologies used: N/A