Reversible assembly of nanoparticles: theory, strategies and computational simulations
The significant advances in synthesis and functionalization have enabled the preparation of
high-quality nanoparticles that have found a plethora of successful applications. The unique …
high-quality nanoparticles that have found a plethora of successful applications. The unique …
Probing surface properties of organic molecular layers by scanning tunneling microscopy
H Wu, G Li, J Hou, K Sotthewes - Advances in colloid and interface science, 2023 - Elsevier
In view of the relevance of organic thin layers in many fields, the fundamentals, growth
mechanisms, and dynamics of thin organic layers, in particular thiol-based self-assembled …
mechanisms, and dynamics of thin organic layers, in particular thiol-based self-assembled …
First‐principles based theoretical investigation of the adsorption of alkanethiols on the iron surface: A DFT-D3 study
H Lgaz, H Lee - Journal of Molecular Liquids, 2022 - Elsevier
The search for novel corrosion inhibitors is a never-ending and challenging task.
Computational studies are fundamental to assessing the interaction of inhibitor molecules …
Computational studies are fundamental to assessing the interaction of inhibitor molecules …
DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers
We report on a systematic density-functional-theory (DFT) study of adsorption of n-alkyl
carboxylic acids (CA) on oxidized aluminum surfaces, where we address the roles of the …
carboxylic acids (CA) on oxidized aluminum surfaces, where we address the roles of the …
How far the chemistry of self-assembled monolayers on gold surfaces affects their work function?
Self-assembled monolayers composed of various long-chain aliphatic molecules and
different tail functional groups have been synthesized on the Au (111) surface and …
different tail functional groups have been synthesized on the Au (111) surface and …
Structure and stability of 7-mercapto-4-methylcoumarin self-assembled monolayers on gold: an experimental and computational analysis
Self-assembled monolayers (SAM) of 7-mercapto-4-methylcoumarin (MMC) on a flat gold
surface were studied by molecular dynamics (MD) simulations, reference-free grazing …
surface were studied by molecular dynamics (MD) simulations, reference-free grazing …
The Thermodynamics of Self Assembled Monolayers Formation: A computational and Experimental Study of Thiols on Flat Gold Surfaces.
A methodology based on Molecular Dynamics is presented to determine the chemical
potential of thiol self-assembled monolayers on a gold surface. The thiol de-solvation and …
potential of thiol self-assembled monolayers on a gold surface. The thiol de-solvation and …
[PDF][PDF] Structure and Stability of 7-mercapto-4-methylcoumarin Self-Assembled Monolayers on Gold: an Experimental and Computa-tional analysis
B Beckhof, M Castellino, P Klapetek, A Zoccante… - scholar.archive.org
Self-assembled monolayers (SAM) of 7-mercapto-4-methylcoumarin (MMC) on a at gold
surface were studied by Molecular Dynamics (MD) simulations, reference-free grazing …
surface were studied by Molecular Dynamics (MD) simulations, reference-free grazing …
[引用][C] Sum frequency generation spectral lineshape investigation of self-assembled monolayers formed by ammonium pyrrolidine dithiocarbamate on gold and …
Y Hengting, W Jingjing, HE Yuhan, GUO Wei…