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

Pembuat 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

Pembuat rowberg1
Updated Januari 9, 2025, 19:50 (UTC)
Dibuat Januari 7, 2025, 19:46 (UTC)