2026-07-07T10:49:20Z https://researchdata.tuwien.ac.at/oai2d

oai:researchdata.tuwien.ac.at:tp9g8-94y51 2025-12-15T14:43:12Z openaire_data

4.3 TUW.TUDATA 10.48436/tp9g8-94y51 oai:researchdata.tuwien.ac.at:tp9g8-94y51 Huang, Zheao Zheao Huang 0000-0002-4715-4598 TU Wien Springer Nature 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 Apaydin, Dogukan Hazar Dogukan Hazar Apaydin 0000-0002-1075-8857 TU Wien Eder, Dominik Dominik Eder 0000-0002-5395-564X TU Wien 2024-10-30 2024-10-10 2025-12-15 eng 10.1038/s41467-024-53385-0 10.48436/t7cgh-mtq10 Creative Commons Attribution 4.0 International Context and Methodology This dataset contains the primary experimental and theoretical data supporting the research article published in Nature Communication (DOI: 10.1038/s41467-024-53385-0). The files provide the raw and processed data used to characterize the structural, optical, and electrochemical properties of the synthesized materials, as well as supporting Density Functional Theory (DFT) calculations. 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: XRD.xlsx: Powder X-ray Diffraction (PXRD) patterns used for crystal structure analysis. IR.xlsx: Infrared Spectroscopy (FTIR) data. XPS.xlsx: X-ray Photoelectron Spectroscopy data, detailing surface elemental composition and oxidation states. NMR.xlsx: Nuclear Magnetic Resonance spectra data. Raman.xlsx: Raman spectroscopy data for analyzing vibrational modes and structural defects. UV-vis.xlsx: Ultraviolet-Visible diffuse reflectance spectra (UV-vis DRS) and band gap calculations. PL.xlsx: Photoluminescence spectroscopy data used to investigate charge carrier separation/recombination. OER.xlsx: Electrochemical data for the Oxygen Evolution Reaction (OER), including CV curves and stability tests. DFT.xlsx: Data output from Density Functional Theory calculations, including electronic density of states (DOS) and free energy 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 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