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

Author Alauddin Ahmed and Don Siegel
Updated February 24, 2021, 18:09 (UTC)
Created February 22, 2019, 16:56 (UTC)