| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5422974 | Surface Science | 2012 | 5 Pages |
Abstract
⺠We present DFT calculations on the pre-organisation of Self Assembled Monolayers. ⺠We show that London interactions are critical for a realistic description of SAMs. ⺠We have analyzed the influence of polar end groups in structuring the SAMs. ⺠We establish that chain lengths from C18 and over can lead to well ordered SAMs.
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Authors
J.-M. Ducéré, A. Estève, G. Landa, M. Djafari Rouhani, D. Estève,