2026-08-03T17:57:57Z https://researchdata.tuwien.ac.at/oai2d

oai:researchdata.tuwien.ac.at:0xq0h-3d720 2025-12-16T15:05:24Z openaire_data

4.3 TUW.TUDATA 10.48436/0xq0h-3d720 oai:researchdata.tuwien.ac.at:0xq0h-3d720 Huang, Zheao Zheao Huang 0000-0001-7738-2607 TU Wien Angewandte Chemie International Edition published by Wiley-VCH GmbH 2024 Chemical sciences Rabl-Wolff, Hannah Hannah Rabl-Wolff 0000-0002-1720-0223 TU Wien Naghdi, Shaghayegh Shaghayegh Naghdi 0000-0001-7738-2607 TU Wien Eder, Dominik Dominik Eder 0000-0002-5395-564X TU Wien 2024-12-17 2024-12-17 2025-12-16 eng 10.1002/anie.202419913 10.1002/ange.202419913 10.48436/ns31y-1pm27 Creative Commons Attribution 4.0 International Context and Methodology This dataset contains the primary experimental and theoretical data supporting the research article published in Angewandte Chemie (DOI: 10.1002/anie.202419913; 10.1002/ange.202419913). The files provide the raw and processed data used to characterize the local coordination environment, surface electronic states, and electrochemical performance of the synthesized materials, specifically focusing on the Hydrogen Evolution Reaction (HER). Supporting Density Functional Theory (DFT) calculations are also included. For detailed synthesis protocols, experimental setups, and comprehensive discussion of these results, please refer to the original publication and its Supplementary Information. Technical Details 1. Dataset Structure: The dataset is organized by characterization technique and measurement type. File Format: All data is provided in .xlsx (Microsoft Excel) format for broad accessibility. Sample Identification: Inside each file, data columns are clearly labeled with the Sample Names/Numbers corresponding to those used in the manuscript. 2. File Descriptions: XAFS.xlsx: X-ray Absorption Fine Structure data (including XANES and/or EXAFS) used to analyze the local coordination environment and oxidation states of the metal centers. XPS.xlsx: X-ray Photoelectron Spectroscopy data, detailing surface elemental composition and valence states. IR.xlsx: Infrared Spectroscopy (FTIR) data for functional group analysis. Raman.xlsx: Raman spectroscopy data for analyzing vibrational modes and structural defects. HER.xlsx: Electrochemical data for the Hydrogen Evolution Reaction (HER), including LSV polarization curves and stability test results. DFT.xlsx: Data output from Density Functional Theory calculations, including adsorption energies, electronic density of states (DOS), or reaction pathway diagrams. 3. Software Requirements: No proprietary instrument software is required to view this data. All files are standard spreadsheets and can be opened with Microsoft Excel, LibreOffice, or similar software. Further Details Users are kindly requested to cite the original article when reusing any part of this dataset. FWF Austrian Science Fund 013tf3c58 FWF, 10.55776/I5413 Austrian Science Fund FWF Austrian Science Fund 013tf3c58 MECS 10.55776/COE5 Cluster of Excellence MECS FWF Austrian Science Fund 013tf3c58 TU-DX 10.55776/DOC142 Doctoral college TU-DX