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Si(111) surface functionalized with H-bonded SAM: A theoretical study

✍ Scribed by Risplendi, Francesca; Cicero, Giancarlo


Book ID
123042991
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
682 KB
Volume
267
Category
Article
ISSN
0169-4332

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The reliability of density functional theory DFT methods for calculating Si-H, Si-Cl, and Si-Si bond energies is examined in reactions involving molecules and small clusters representing various surface sites appropriate for Si surface chemistry. Results are presented for systematic studies using a