Odd−Even Effects in Self-Assembled Monolayers of ω-(Biphenyl-4-yl)alkanethiols:  A First-Principles Study

Langmuir ◽  
2008 ◽  
Vol 24 (2) ◽  
pp. 474-482 ◽  
Author(s):  
Georg Heimel ◽  
Lorenz Romaner ◽  
Jean-Luc Brédas ◽  
Egbert Zojer
Keyword(s):  
First Principles ◽  
Self Assembled Monolayers ◽  
First Principles Study ◽  
Assembled Monolayers ◽  
Self Assembled

Evidence of Self-Assembled Monolayers Preorganization Prior to Surface Contact: a First Principles Study

2009 ◽  
Vol 113 (35) ◽  
pp. 15652-15657 ◽  
Author(s):  
Jean-Marie Ducéré ◽  
Alain Estève ◽  
Ahmed Dkhissi ◽  
Mehdi Djafari Rouhani ◽  
Georges Landa
Keyword(s):  
First Principles ◽  
Self Assembled Monolayers ◽  
First Principles Study ◽  
Surface Contact ◽  
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.

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