Electronic structure of a heterostructure of an alkylsiloxane self-assembled monolayer on silicon

1998 ◽  
Vol 58 (24) ◽  
pp. 16491-16498 ◽  
Author(s):  
D. Vuillaume ◽  
C. Boulas ◽  
J. Collet ◽  
G. Allan ◽  
C. Delerue
Keyword(s):  
Electronic Structure ◽  
Self Assembled Monolayer ◽  
Self Assembled

scholarly journals A priori calculations of the free energy of formation from solution of polymorphic self-assembled monolayers

2015 ◽  
Vol 112 (45) ◽  
pp. E6101-E6110 ◽  
Author(s):  
Jeffrey R. Reimers ◽  
Dwi Panduwinata ◽  
Johan Visser ◽  
Yiing Chin ◽  
Chunguang Tang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
A Priori ◽  
Pyrolytic Graphite ◽  
Density Functional Theory Calculations ◽  
Self Assembled Monolayer ◽  
Atomic Structures ◽  
Wide Range ◽  
Entropy Effects ◽  
Self Assembled

Modern quantum chemical electronic structure methods typically applied to localized chemical bonding are developed to predict atomic structures and free energies for meso-tetraalkylporphyrin self-assembled monolayer (SAM) polymorph formation from organic solution on highly ordered pyrolytic graphite surfaces. Large polymorph-dependent dispersion-induced substrate−molecule interactions (e.g., −100 kcal mol−1 to −150 kcal mol−1 for tetratrisdecylporphyrin) are found to drive SAM formation, opposed nearly completely by large polymorph-dependent dispersion-induced solvent interactions (70–110 kcal mol−1) and entropy effects (25–40 kcal mol−1 at 298 K) favoring dissolution. Dielectric continuum models of the solvent are used, facilitating consideration of many possible SAM polymorphs, along with quantum mechanical/molecular mechanical and dispersion-corrected density functional theory calculations. These predict and interpret newly measured and existing high-resolution scanning tunnelling microscopy images of SAM structure, rationalizing polymorph formation conditions. A wide range of molecular condensed matter properties at room temperature now appear suitable for prediction and analysis using electronic structure calculations.

scholarly journals Electronic Structure of a Self-Assembled Monolayer with Two Surface Anchors: 6-Mercaptopurine on Au(111)

Langmuir ◽  
2018 ◽  
Vol 34 (20) ◽  
pp. 5696-5702 ◽  
Author(s):  
Cynthia C. Fernández ◽  
Evangelina Pensa ◽  
Pilar Carro ◽  
Roberto Salvarezza ◽  
Federico J. Williams
Keyword(s):  
Electronic Structure ◽  
Self Assembled Monolayer ◽  
Self Assembled

scholarly journals Electronic structure and polymerization of a self-assembled monolayer with multiple arene rings

2006 ◽  
Vol 74 (16) ◽  
Author(s):  
D.-Q. Feng ◽  
D. Wisbey ◽  
Ya. B. Losovyj ◽  
Y. Tai ◽  
M. Zharnikov ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Self Assembled Monolayer ◽  
Self Assembled

Self-Assembled Fluid Phase Floating Membranes with Tuneable Water Interlayers

2019 ◽  
Author(s):  
Luke Clifton ◽  
Nicoló Paracini ◽  
Arwel V. Hughes ◽  
Jeremy H. Lakey ◽  
Nina-Juliane Seinke ◽  
...  
Keyword(s):  
Fluid Phase ◽  
Interlayer Thickness ◽  
Supported Bilayers ◽  
Self Assembled Monolayer ◽  
High Coverage ◽  
Nano Technology ◽  
Surface Distance ◽  
Potential Applications ◽  
Self Assembled ◽  
Coated Surfaces

<p>We present a reliable method for the fabrication of fluid phase unsaturated bilayers which are readily self-assembled on charged self-assembled monolayer (SAM) surfaces producing high coverage floating supported bilayers where the membrane to surface distance could be controlled with nanometer precision. Vesicle fusion was used to deposit the bilayers onto anionic SAM coated surfaces. Upon assembly the bilayer to SAM solution interlayer thickness was 7-10 Å with evidence suggesting that this layer was present due to SAM hydration repulsion of the bilayer from the surface. This distance could be increased using low concentrations of salts which caused the interlayer thickness to enlarge to ~33 Å. Reducing the salt concentration resulted in a return to a shorter bilayer to surface distance. These accessible and controllable membrane models are well suited to a range of potential applications in biophysical studies, bio-sensors and Nano-technology.</p><br>

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