Back to Search
Start Over
Rationalizing the formation of binary mixed thiol self-assembled monolayers
- Source :
- Materials Today Chemistry, Materials Today Chemistry, Elsevier, 2017, 5, pp.34-42. ⟨10.1016/j.mtchem.2017.05.002⟩, Materials Today Chemistry, 2017, 5, pp.34-42. ⟨10.1016/j.mtchem.2017.05.002⟩
- Publication Year :
- 2017
- Publisher :
- Elsevier, 2017.
-
Abstract
- International audience; Periodic DFT-D calculations are used to decipher the role of intermolecular forces on the stability of mixed linear thiol self-assembled monolayers (SAMs) on Au(111) and compared with experiment. The interaction energy is rationalized by quantifying its different contributions. The inter-chain interaction energy is shown to be in direct relation with the surface reconstruction and the formation of adatoms. The stability of the mixed SAM systems is predicted by calculations and validated with experiments. In order to describe predictively the segregation of binary thiol mixtures adsorption on Au surfaces a segregation descriptor is defined. This procedure is a promising step forward in the prediction of segregated SAMs leading to future functional nanomaterials, including Janus or patchy nanoparticles for optics, formulation and self-assembled patterns.
- Subjects :
- Polymers and Plastics
Nanoparticle
Nanotechnology
02 engineering and technology
010402 general chemistry
01 natural sciences
DFT
Catalysis
Nanomaterials
Biomaterials
Adsorption
Colloid and Surface Chemistry
Monolayer
Materials Chemistry
thiols
Chemistry
Intermolecular force
Self-assembled monolayer
Interaction energy
[CHIM.MATE]Chemical Sciences/Material chemistry
self assembly
021001 nanoscience & nanotechnology
Nano domains
0104 chemical sciences
Electronic, Optical and Magnetic Materials
Chemical physics
gold nanoparticles
Self-assembly
0210 nano-technology
Subjects
Details
- Language :
- English
- ISSN :
- 24685194
- Database :
- OpenAIRE
- Journal :
- Materials Today Chemistry, Materials Today Chemistry, Elsevier, 2017, 5, pp.34-42. ⟨10.1016/j.mtchem.2017.05.002⟩, Materials Today Chemistry, 2017, 5, pp.34-42. ⟨10.1016/j.mtchem.2017.05.002⟩
- Accession number :
- edsair.doi.dedup.....1dd234bc9c466cb1132a3d0bafc932b1