Selective ligand removal to improve accessibility of active sites in hierarchical MOFs for heterogeneous photocatalysis

This dataset contains the source data associated with the publication:

“Selective ligand removal to improve accessibility of active sites in hierarchical MOFs for heterogeneous photocatalysis”

published in Nature Communications.

The dataset was generated during the synthesis, thermal treatment, characterization, and photocatalytic evaluation of titanium-based hierarchical metal–organic frameworks (MOFs) with selectively removed ligands and engineered defects.

The dataset includes raw and processed experimental data for:

• Powder X-ray diffraction (XRD)
• Simulated XRD patterns
• Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS)
• Thermogravimetric analysis (TGA)
• In situ temperature- and time-dependent XRD measurements
• In situ DRIFTS measurements
• Density Functional Theory (DFT) calculations
• Photocatalytic hydrogen evolution experiments
• Mixed-ligand MOF characterization and performance analysis

The Excel workbook is organized into multiple sheets according to characterization technique and experimental condition. Sheet names indicate the corresponding experiment type and sample condition.

This dataset supports reproducibility of the published results and may be reused for studies related to:

• Metal–organic frameworks (MOFs)
• Defect engineering
• Hierarchical porous materials
• Photocatalysis
• Hydrogen evolution reactions
• Structure–property relationships in porous materials

Researchers reusing this dataset should cite the original publication.

Original article:
https://www.nature.com/articles/s41467-021-27775-7