The supporting information for the article "Mg-MOF-74 Derived Defective Framework for Hydrogen Storage at Above-Ambient Temperature Assisted by Pt Catalyst" provides detailed experimental procedures, characterization methods, performance tests, and techno-economic analysis. The study focuses on the synthesis and characterization of defective Mg-MOF-74 frameworks and their hydrogen storage properties, enhanced by a Pt catalyst. Key aspects include: 1. **Material Preparation**: - **Mg-MOF-74**: Synthesized using a solvothermal method with 2,5-dihydroxyterephthalic acid and Mg(NO₃)₂. - **Pt-Mg-MOF-74**: Prepared by adding 0.5 wt% K₂PtCl₄ to the Mg(NO₃)₂ solution. - **Pt-de-MgMOF**: Obtained by heating Mg-MOF-74 at 400°C in an Ar/H₂ atmosphere. 2. **Characterization**: - **XRD**: To confirm the structure. - **SEM, TEM, HAADF-STEM**: For morphology analysis. - **TGA, DSC**: For thermal stability. - **EXAFS**: For structural details. - **EPR**: To detect oxygen vacancies and unsaturated Mg sites. - **TPD**: For hydrogen desorption kinetics. - **XPS**: For elemental analysis. - **FT-IR**: For functional group identification. - **NMR**: For hydrogen bonding analysis. - **BET**: For surface area and porosity measurements. 3. **Performance Tests**: - **Hydrogen Storage**: Measured using a high-pressure adsorption instrument and PCT setup. - **Enthalpy and Entropy Calculations**: Using the Clausius-Clapeyron relationship. - **Activation Energy**: Calculated using the Kissinger equation. 4. **DFT Calculation**: - Geometric optimization and energy calculations were performed using VASP to understand hydrogen adsorption. 5. **Techno-Economic Analysis**: - Assessed the techno-economic performance of the materials for onboard hydrogen storage, considering factors like tank volume, vessel mass, and storage material mass. The supporting information also includes detailed figures and tables for various experimental results, such as XRD patterns, SEM images, and techno-economic analyses, providing comprehensive insights into the research.The supporting information for the article "Mg-MOF-74 Derived Defective Framework for Hydrogen Storage at Above-Ambient Temperature Assisted by Pt Catalyst" provides detailed experimental procedures, characterization methods, performance tests, and techno-economic analysis. The study focuses on the synthesis and characterization of defective Mg-MOF-74 frameworks and their hydrogen storage properties, enhanced by a Pt catalyst. Key aspects include: 1. **Material Preparation**: - **Mg-MOF-74**: Synthesized using a solvothermal method with 2,5-dihydroxyterephthalic acid and Mg(NO₃)₂. - **Pt-Mg-MOF-74**: Prepared by adding 0.5 wt% K₂PtCl₄ to the Mg(NO₃)₂ solution. - **Pt-de-MgMOF**: Obtained by heating Mg-MOF-74 at 400°C in an Ar/H₂ atmosphere. 2. **Characterization**: - **XRD**: To confirm the structure. - **SEM, TEM, HAADF-STEM**: For morphology analysis. - **TGA, DSC**: For thermal stability. - **EXAFS**: For structural details. - **EPR**: To detect oxygen vacancies and unsaturated Mg sites. - **TPD**: For hydrogen desorption kinetics. - **XPS**: For elemental analysis. - **FT-IR**: For functional group identification. - **NMR**: For hydrogen bonding analysis. - **BET**: For surface area and porosity measurements. 3. **Performance Tests**: - **Hydrogen Storage**: Measured using a high-pressure adsorption instrument and PCT setup. - **Enthalpy and Entropy Calculations**: Using the Clausius-Clapeyron relationship. - **Activation Energy**: Calculated using the Kissinger equation. 4. **DFT Calculation**: - Geometric optimization and energy calculations were performed using VASP to understand hydrogen adsorption. 5. **Techno-Economic Analysis**: - Assessed the techno-economic performance of the materials for onboard hydrogen storage, considering factors like tank volume, vessel mass, and storage material mass. The supporting information also includes detailed figures and tables for various experimental results, such as XRD patterns, SEM images, and techno-economic analyses, providing comprehensive insights into the research.