H Energetics on Charged Graphene - 데이터와 리소스

Migration barriers for adsorbed atomic H on graphene as a function of system...

Migration barriers for H on graphene as a function of system charge for H2...

Adsorption energy barriers for H2 on graphene as a function of system charge...

Adsorption energy barrier for atomic H on graphene as a function of system...

Adsorption and desorption energy barriers for H2 attaching on graphene in the...

Adsorption and desorption energy barriers for atomic H attaching on graphene...

Projected density of states for neutral graphene with a single chemisorbed...

Projected density of states for neutral graphene with a single chemisorbed...

Spin-resolved total density of states for H2 dimer configurations D2 and D3...

Local charge density for adsorbed atomic hydrogen on neutral graphene.

Adsorption energy for a single hydrogen atom on graphene as a function of...

Jupyter Notebook used to visualize data in associated .csv files.

Python script to generate figures from data

Jupyter Notebook used to visualize density of states data in associated .csv...