Atomistic Simulation of Alkanethiol Self-Assembled Monolayers on Different Metal Surfaces via a Quantum, First-Principles Parametrization of the Sulfur−Metal Interaction

2007 ◽  
Vol 111 (17) ◽  
pp. 6380-6391 ◽  
Author(s):  
Orestis Alexiadis ◽  
Vagelis A. Harmandaris ◽  
Vlasis G. Mavrantzas ◽  
Luigi Delle Site
Keyword(s):  
First Principles ◽  
Atomistic Simulation ◽  
Metal Surfaces ◽  
Self Assembled Monolayers ◽  
Metal Interaction ◽  
Assembled Monolayers ◽  
Self Assembled

A study on adatom transport through (√3 × √3)–R30°–CH3S self-assembled monolayers on Au(111) using first principles calculations

2014 ◽  
Vol 16 (42) ◽  
pp. 23067-23073 ◽  
Author(s):  
D. Paulius ◽  
D. Torres ◽  
F. Illas ◽  
W. E. Archibald
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Self Assembled Monolayers ◽  
First Principles Calculations ◽  
Electrical And Optical Properties ◽  
Assembled Monolayers ◽  
Self Assembled

Self-assembled monolayers on Au(111) have outstanding chemical, electrical, and optical properties, and Au adatoms seem to play a key role in these properties.

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
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