Computational investigation of the impact of metal–organic framework topology on hydrogen storage capacity
A topologically diverse MOF dataset, NU-topoMOF-2025, was constructed and screened to identify topology-based design rules for materials with enhanced hydrogen storage performance.
Authors
- K. Liu (ORCID: https://orcid.org/0000-0001-6042-5594)
- Timur İslamoğlu (ORCID: https://orcid.org/0000-0003-3688-9158)
- Omar K. Farha (ORCID: https://orcid.org/0000-0002-9904-9845)
- Randall Q. Snurr (ORCID: https://orcid.org/0000-0003-2925-9246)
- Xijun Wang (ORCID: https://orcid.org/0000-0001-9155-7653)
- Haoyuan Chen (ORCID: https://orcid.org/0000-0002-8634-4028)
- Andrew Rosen (ORCID: https://orcid.org/0000-0002-0141-7006)
Institutions
- Northwestern University (US)
- Southern Methodist University (US)
Publication Details
- Journal
- Molecular Systems Design & Engineering
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5me00078e
- Citations
- 2
- Primary Topic
- Metal-Organic Frameworks: Synthesis and Applications
- Type
- article
- Field-Weighted Citation Impact
- 1.07
Funders
- U.S. Department of Energy
- Northwestern University
- National Energy Research Scientific Computing Center
- Southern Methodist University
- Office of Science
- Office of Energy Efficiency and Renewable Energy
- Quest High Performance Computing
- Basic Energy Sciences
- Hydrogen and Fuel Cell Technologies Office
- Office of Energy Efficiency