Hydrogen adsorption capacity of adatoms on double carbon vacancies of graphene: A trend study from first principles
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Fair, K.M.; Cui, X. Y.; Li, Li (Lily); Shieh, C.C.; Zheng, Rongkun; Liu, Zongwen; Delley, B.; Ford, M J; Ringer, Simon P.; Stampfl, Catherine M
Description
Structural stability and hydrogen adsorption capacity are two key quantities in evaluating the potential of metal-adatom decorated graphene for hydrogen storage and related devices. We have carried out extensive density functional theory calculations for
| Collections | ANU Research Publications |
|---|---|
| Date published: | 2014 |
| Type: | Journal article |
| URI: | http://hdl.handle.net/1885/61112 |
| Source: | Physical Review B |
| DOI: | 10.1103/PhysRevB.87.014102 |
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| File | Description | Size | Format | Image |
|---|---|---|---|---|
| 01_Fair_Hydrogen_adsorption_capacity_2014.pdf | 1.01 MB | Adobe PDF |
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