Migration energy barriers, adsorption and desorption energies, and density of states data for hydrogen adsorbing on charged graphene, as calculated using density functional theory.
Dataset Metadata
| Author |
rowberg1
|
| Maintainer Email |
rowberg1@llnl.gov
|
| Institution |
Lawrence Livermore National Laboratory
|
| Capability Node |
Ab Initio Calculation Capabilities
|
| Focus Area |
1-Optimizing Sorbent Binding Energies
|
| Collection Date |
12/02/2024
|
| Data Source Type |
Modeling and Simulation
|
Additional Info
| Author |
rowberg1
|
| Updated |
January 9, 2025, 19:50 (UTC)
|
| Created |
January 7, 2025, 19:46 (UTC)
|
