Computational investigations of electronic structure modifications of ferrocene-terminated self-assembled monolayers: effects of electron donating/withdrawing functional groups attached on the ferrocene moiety

2017 ◽  
Vol 19 (48) ◽  
pp. 32715-32722 ◽  
Author(s):  
Yasuyuki Yokota ◽  
Sumito Akiyama ◽  
Yukio Kaneda ◽  
Akihito Imanishi ◽  
Kouji Inagaki ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Functional Groups ◽  
Electronic Structures ◽  
Modified Electrodes ◽  
Chemically Modified Electrodes ◽  
Self Assembled Monolayers ◽  
Chemically Modified ◽  
Redox Center ◽  
Assembled Monolayers ◽  
Self Assembled

The electronic structures of chemically modified electrodes can be tuned by the functional groups attached on the redox center.

Spectroscopic Fingerprints of Amine and Imide Functional Groups in Self-Assembled Monolayers

ChemPhysChem ◽  
2007 ◽  
Vol 8 (11) ◽  
pp. 1722-1726 ◽  
Author(s):  
Miguel Ruiz-Osés ◽  
Thorsten Kampen ◽  
Nora González-Lakunza ◽  
Iñaki Silanes ◽  
Philipp M. Schmidt-Weber ◽  
...  
Keyword(s):  
Functional Groups ◽  
Self Assembled Monolayers ◽  
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.

Tuning the surface potential of gold substrates arbitrarily with self-assembled monolayers with mixed functional groups

2009 ◽  
Vol 11 (29) ◽  
pp. 6199 ◽  
Author(s):  
Wei-Chun Lin ◽  
Szu-Hsian Lee ◽  
Manuel Karakachian ◽  
Bang-Ying Yu ◽  
Ying-Yu Chen ◽  
...  
Keyword(s):  
Functional Groups ◽  
Surface Potential ◽  
Self Assembled Monolayers ◽  
Gold Substrates ◽  
Assembled Monolayers ◽  
Self Assembled

scholarly journals Molecular and electronic structure of electroactive self-assembled monolayers

2013 ◽  
Vol 138 (11) ◽  
pp. 114707 ◽  
Author(s):  
Lucila P. Méndez De Leo ◽  
Ezequiel de la Llave ◽  
Damián Scherlis ◽  
Federico J. Williams
Keyword(s):  
Electronic Structure ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled ◽  
Molecular And Electronic Structure
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