H Energetics on Charged Graphene - Data and Resources
Project ID | 8c600e63-36ab-488c-ac1e-9d1fb75c5709 |
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Dataset ID | d9cc11e5-5ce9-4898-b85a-8c67b4a96d4e |
Data and Resources
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2_diffusion_barrier_vs_charge_single.csvCSV
Data API
Migration barriers for adsorbed atomic H on graphene as a function of system...
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2_diffusion_barrier_vs_charge_dimers.csvCSV
Data API
Migration barriers for H on graphene as a function of system charge for H2...
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3_adsorption_energy_vs_charge_dimers.csvCSV
Data API
Adsorption energy barriers for H2 on graphene as a function of system charge...
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3_adsorption_energy_vs_charge_single.csvCSV
Data API
Adsorption energy barrier for atomic H on graphene as a function of system...
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4_adsorption_desorption_barriers_vs_charge_dimers.csvCSV
Data API
Adsorption and desorption energy barriers for H2 attaching on graphene in the...
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4_adsorption_desorption_barriers_vs_charge_single.csvCSV
Data API
Adsorption and desorption energy barriers for atomic H attaching on graphene...
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5a_PDOS_S.csvCSV
Data API
Projected density of states for neutral graphene with a single chemisorbed...
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5b_PDOS_TS.csvCSV
Data API
Projected density of states for neutral graphene with a single chemisorbed...
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6_PDOS_D2_D3.csvCSV
Data API
Spin-resolved total density of states for H2 dimer configurations D2 and D3...
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7_ldos_-8.5_to_-7.5.cubchemical/x-gaussian-cube
Local charge density for adsorbed atomic hydrogen on neutral graphene.
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8_adsorption_energy_vs_charge_bothsides.csvCSV
Data API
Adsorption energy for a single hydrogen atom on graphene as a function of...
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Graphene_plots.ipynb
Jupyter Notebook used to visualize data in associated .csv files.
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make_plots.pytext/x-python
Python script to generate figures from data
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Read_DOS.ipynb
Jupyter Notebook used to visualize density of states data in associated .csv...