Ab Initio Calculations of the Reaction Mechanisms for Metal−Nitride Deposition from Organo-Metallic Precursors onto Functionalized Self-Assembled Monolayers

2006 ◽  
Vol 128 (3) ◽  
pp. 836-847 ◽  
Author(s):  
Mohit Haran ◽  
James R. Engstrom ◽  
Paulette Clancy
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Reaction Mechanisms ◽  
Self Assembled Monolayers ◽  
Metal Nitride ◽  
Assembled Monolayers ◽  
Self Assembled

Computational and experimental approach to understanding the structural interplay of self-assembled end-terminated alkanethiolates on gold surfaces

2019 ◽  
Vol 21 (42) ◽  
pp. 23320-23328 ◽  
Author(s):  
Juganta K. Roy ◽  
Erick S. Vasquez ◽  
Henry P. Pinto ◽  
Swati Kumari ◽  
Keisha B. Walters ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electronic Structure ◽  
Ab Initio ◽  
Experimental Approach ◽  
Molecular Organization ◽  
Self Assembled Monolayers ◽  
Density Functionals ◽  
Gold Surfaces ◽  
Assembled Monolayers ◽  
Self Assembled

Molecular organization dictates phases, stability and subsequent electronic structure of self-assembled monolayers. With appropriate density functionals, ab initio molecular dynamics (AIMD) simulations predicted and elucidated experimental orientations.

Ab-initio and Multiscale Study of Surface Stresses from Alkanethiolate Self-Assembled Monolayers on Gold

2010 ◽  
Author(s):  
Chuin-Shan Chen ◽  
Chia-Ching Chou ◽  
Shu-Wei Chang ◽  
Jane W. Z. Lu ◽  
Andrew Y. T. Leung ◽  
...  
Keyword(s):  
Ab Initio ◽  
Self Assembled Monolayers ◽  
Surface Stresses ◽  
Assembled Monolayers ◽  
Self Assembled

Electrochemical behavior of self-assembled monolayers based on functionalized oligothiophenes

1998 ◽  
Vol 95 (6) ◽  
pp. 1339-1342 ◽  
Author(s):  
R. Michalitsch ◽  
A. El Kassmi ◽  
P. Lang ◽  
A. Yassar ◽  
F. Garnier
Keyword(s):  
Electrochemical Behavior ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled

Imaging of patterned self-assembled monolayers by scanning photoelectron microscopy

2003 ◽  
Vol 104 ◽  
pp. 459-462 ◽  
Author(s):  
R. Klauser ◽  
M. Zharnikov ◽  
I.-H. Hong ◽  
S.-C. Wang ◽  
A. Gölzhäuser ◽  
...  
Keyword(s):  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Scanning Photoelectron Microscopy ◽  
Self Assembled
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