This dataset includes calculated crystallographic properties and usable hydrogen storage capacities for a database of MOFs. The capacities are reported for pressure swing operation between 100 and 5 bar at 77 K, and for temperature + pressure swing operation between 100 bar/77 K and 5 bar/160 K. 
Use of this data should be accompanied by a citation to the following publication: Ahmed et al, Energy Environ. Sci., 10, 2459-2471 (2017).
    
    
  
  Dataset Metadata
  
    
      
        
          
            
              | Author | Alauddin Ahmed and Don Siegel | 
          
        
      
        
          
            
              | Maintainer Email | alauddin@umich.edu | 
          
        
      
        
          
            
              | DOI | 10.1039/c7ee02477k | 
          
        
      
        
          
            
              | Institution | University of Michigan Ann Arbor | 
          
        
      
        
          
            
              | Capability Node | Computational Characterization and Screen of Porous Sorbents | 
          
        
      
        
          
            
              | Focus Area | 1-Dynamic Sorbent Materials | 
          
        
      
        
          
        
      
        
          
        
      
        
          
            
              | Collection Date | 02/22/2019 | 
          
        
      
        
          
            
              | Data Source Type | Modeling and Simulation | 
          
        
      
        
          
        
      
        
          
        
      
    
  
  
    
    Additional Info
    
  
    
      | Author | Alauddin Ahmed and Don Siegel | 
    
    
      
        | Updated | February 24, 2021, 18:09 (UTC) | 
    
    
    
      | Created | February 22, 2019, 16:56 (UTC) |