Periodicity-dependent long range coulomb on-site repulsion in hydrogen adsorbed graphene: A DFT+U study
The long rang Coulomb on-site repulsion between π electrons in hydrogen (H) adsorbed graphene has been studied based on DFT + U calculations. This study demonstrates that the rigidity of π electronic structure of graphene is partially destroyed in the cases of H adsorption due to the introduction of...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-06-01
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| Series: | Progress in Natural Science: Materials International |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1002007119303570 |