Surface-mediated ordering of pristine Salen molecules on coinage metals

2021 ◽  
Author(s):  
Dan Liu ◽  
Bin Di ◽  
Zhantao Peng ◽  
Cen Yin ◽  
Hao Zhu ◽  
...  
Keyword(s):  
Metal Surfaces ◽  
Coinage Metal ◽  
Conformational Isomers ◽  
Coinage Metals ◽  
Self Assembled

The conformational isomers of Salen molecules and their self-assembled structures on coinage metal surfaces.

Comparison of the structures and wetting properties of self-assembled monolayers of n-alkanethiols on the coinage metal surfaces, copper, silver, and gold

1991 ◽  
Vol 113 (19) ◽  
pp. 7152-7167 ◽  
Author(s):  
Paul E. Laibinis ◽  
George M. Whitesides ◽  
David L. Allara ◽  
Yu Tai Tao ◽  
Atul N. Parikh ◽  
...  
Keyword(s):  
Metal Surfaces ◽  
Self Assembled Monolayers ◽  
Coinage Metal ◽  
Wetting Properties ◽  
Assembled Monolayers ◽  
Self Assembled

Quantum confinement in self-assembled two-dimensional nanoporous honeycomb networks at close-packed metal surfaces

2015 ◽  
Vol 142 (10) ◽  
pp. 101931 ◽  
Author(s):  
N. Kepčija ◽  
T.-J. Huang ◽  
F. Klappenberger ◽  
J. V. Barth
Keyword(s):  
Quantum Confinement ◽  
Metal Surfaces ◽  
Two Dimensional ◽  
Self Assembled

Experiments and Molecular Simulations to Study the Role of Coadsorption of Oil in Corrosion Inhibitor Films in Improving Corrosion Mitigation

CORROSION ◽  
10.5006/3606 ◽  
2020 ◽  
Vol 76 (11) ◽  
Author(s):  
Xueying Ko ◽  
Juan Dominguez Olivo ◽  
Bruce Brown ◽  
Srdjan Nešić ◽  
Sumit Sharma
Keyword(s):  
Aqueous Solution ◽  
Corrosion Inhibitor ◽  
Metal Surfaces ◽  
Laboratory Experiments ◽  
Field Experience ◽  
Molecular Simulations ◽  
Self Assembled Monolayer ◽  
Polar Head ◽  
Self Assembled

While both field experience and laboratory experiments have shown that the efficiency of adsorbed corrosion inhibitor films improves upon exposure of the aqueous solution to a hydrocarbon phase, a credible explanation of these results is lacking. Using a combination of experiments and molecular simulations, this study examines how exposure to oil molecules affects the nature of adsorbed corrosion inhibitor films on metal surfaces. It is found that oil molecules get coadsorbed in the corrosion inhibitor films, making them more hydrophobic, structurally more ordered, and well packed. Corrosion inhibitor molecules with a bulky polar head adsorb in nonplanar, cylinder-like morphologies. Coadsorption of oil molecules changes the morphology of these films to a planar self-assembled monolayer.

scholarly journals A Comparative Computational Study of the Adsorption of TCNQ and F4-TCNQ on the Coinage Metal Surfaces

ACS Omega ◽  
2019 ◽  
Vol 4 (16) ◽  
pp. 16906-16915
Author(s):  
Roberto Otero ◽  
Rodolfo Miranda ◽  
José M. Gallego
Keyword(s):  
Metal Surfaces ◽  
Computational Study ◽  
Coinage Metal

scholarly journals N-Heterocyclic carbenes on close-packed coinage metal surfaces: bis-carbene metal adatom bonding scheme of monolayer films on Au, Ag and Cu

2017 ◽  
Vol 8 (12) ◽  
pp. 8301-8308 ◽  
Author(s):  
Li Jiang ◽  
Bodong Zhang ◽  
Guillaume Médard ◽  
Ari Paavo Seitsonen ◽  
Felix Haag ◽  
...  
Keyword(s):  
Metal Complexes ◽  
Metal Surfaces ◽  
Heterocyclic Carbenes ◽  
Solid Surfaces ◽  
Monolayer Films ◽  
Coinage Metal ◽  
Bonding Scheme ◽  
Group 11 Metals

N-Heterocyclic carbenes wet the solid surfaces of group 11 metals with energetically favourable electron donating biscarbene metal complexes.

Addressing the uncertainty of DFT-determined hydrogenation mechanisms over coinage metal surfaces

2020 ◽  
Author(s):  
Kunran Yang ◽  
Bo Yang
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Reaction Mechanisms ◽  
Metal Surfaces ◽  
Density Functional ◽  
Functional Theory ◽  
Coinage Metal

Density functional theory (DFT) has been considered as a powerful tool for the identification of reaction mechanisms. However, it is still unclear whether the error of DFT calculations would lead...

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