The electronic structures of a lithium ion (Li + ) doped-graphene at the ground and low-lying excited states have been investigated by means of density functional theory (DFT) method. A graphene composed of 19 benzene rings was used as a model of graphene, while the edge carbon atom was terminated b
β¦ LIBER β¦
Density Functional Theory (DFT) Study on Interaction of Carbon Free Radicals with Graphene Surface
β Scribed by Iyama, Tetsuji; Tachikawa, Hiroto
- Book ID
- 121334628
- Publisher
- Taylor and Francis Group
- Year
- 2013
- Tongue
- English
- Weight
- 473 KB
- Volume
- 579
- Category
- Article
- ISSN
- 1542-1406
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## Abstract Surfaceβenhanced Raman spectroscopy (SERS) in a silver sol assisted by density functional theory (DFT) calculations is shown to be a promising tool in the characterization of platinum complexes and their interaction with nucleic acid bases. This is demonstrated using cisplatin and guani