Interfacial Electronic Structure in Thiolate Self-Assembled Monolayers:  Implication for Molecular Electronics

2000 ◽  
Vol 122 (19) ◽  
pp. 4700-4707 ◽  
Author(s):  
T. Vondrak ◽  
H. Wang ◽  
P. Winget ◽  
C. J. Cramer ◽  
X.-Y. Zhu
Keyword(s):  
Electronic Structure ◽  
Molecular Electronics ◽  
Self Assembled Monolayers ◽  
Interfacial Electronic Structure ◽  
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.

A surprising way to control the charge transport in molecular electronics: the subtle impact of the coverage of self-assembled monolayers of floppy molecules adsorbed on metallic electrodes

2017 ◽  
Vol 204 ◽  
pp. 35-52 ◽  
Author(s):  
Ioan Bâldea
Keyword(s):  
Molecular Electronics ◽  
Single Molecule ◽  
Molecular Species ◽  
Molecular Conformation ◽  
Theoretical Work ◽  
Self Assembled Monolayers ◽  
Scanning Tunneling ◽  
Assembled Monolayers ◽  
Self Assembled ◽  
Twisting Angle

Inspired by earlier attempts in organic electronics aiming at controlling charge injection from metals into organic materials by manipulating the Schottky energy barrier using self-assembled monolayers (SAMs), recent experimental and theoretical work in molecular electronics showed that metal–organic interfaces can be controlled via changes in the metal work function that are induced by SAMs. In this paper we indicate a different route to achieve interface-driven control over the charge transfer/transport at the molecular scale. It is based on the fact that, in floppy molecule based SAMs, the molecular conformation can be tuned by varying the coverage of the adsorbate. We demonstrate this effect with the aid of benchmark molecules that are often used to fabricate nanojunctions and consist of two rings that can easily rotate relative to each other. We show that, by varying the coverage of the SAM, the twisting angle φ of the considered molecular species can be modified by a factor of two. Given the fact that the low bias conductance G scales as cos2 φ, this results in a change in G of over one order of magnitude for the considered molecular species. Tuning the twisting angle by controlling the SAM coverage may be significant, e.g., for current efforts to fabricate molecular switches. Conversely, the lack of control over the local SAM coverage may be problematic for the reproducibility and interpretation of the STM (scanning tunneling microscope) measurements on repeatedly forming single molecule break junctions.

Self assembled monolayers on silicon for molecular electronics

2006 ◽  
Vol 568 (1-2) ◽  
pp. 84-108 ◽  
Author(s):  
D.K. Aswal ◽  
S. Lenfant ◽  
D. Guerin ◽  
J.V. Yakhmi ◽  
D. Vuillaume
Keyword(s):  
Molecular Electronics ◽  
Self Assembled Monolayers ◽  
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

Electronic Structure of Self-Assembled Monolayers on Au(111) Surfaces: The Impact of Backbone Polarizability

2009 ◽  
Vol 19 (23) ◽  
pp. 3766-3775 ◽  
Author(s):  
LinJun Wang ◽  
Gerold M. Rangger ◽  
Lorenz Romaner ◽  
Georg Heimel ◽  
Tomas BucÌŒko ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled ◽  
The Impact

Impact of Metal-Organic Interface on the Growth Mechanism and Magnetic Properties of Permalloy (Fe : Ni) Films Sputtered on Self-Assembled Monolayers of Polar and Nonpolar Molecules

2010 ◽  
Vol 442 ◽  
pp. 158-163
Author(s):  
S.N. Ahmad ◽  
G.F. Strouse ◽  
S.A. Shaheen
Keyword(s):  
Magnetic Properties ◽  
Molecular Electronics ◽  
Self Assembled Monolayers ◽  
Ferromagnetic Behavior ◽  
Polar Regions ◽  
Assembled Monolayers ◽  
Metal Organic ◽  
Self Assembled ◽  
The Impact ◽  
Nonpolar Molecules

Metal deposition on self-assembled monolayers (SAMs) with different terminal organic functional groups is a growing area of research and the metal-organic interface has been extensively studied in the past two decades. Apart from impacting existing technologies, it may have a profound impact on the emerging future technologies such as molecular electronics. The morphology of the deposited metals is strongly influenced by the nature of the chemical interactions occurring at the interface of the organic functional group (OFG) of the SAM and the deposited metal. Our interest for such studies stems from different perspective, as we are interested in determining the impact of the interface on the morphology and hence the magnetic properties of the deposited magnetic materials. We have sputtered a magnetic material, permalloy (Ni79Fe21), on self-assembled monolayers of polar and nonpolar molecules, and have observed contrasting magnetic behaviors of permalloy on these surfaces. We have observed the formation of uniform film on polar regions and cluster are formed on nonpolar regions. Further investigations reveal that the cluster formation gives rise to superparamagnetism, while the uniform film shows a usual ferromagnetic behavior. The observed contrast in morphology and magnetism of Py is attributed to different growth mechanisms arising from difference in polarity of the SAM surfaces.

Self-assembled monolayers of terminal acetylenes as replacements for thiols in bottom-up tunneling junctions

RSC Advances ◽  
2014 ◽  
Vol 4 (99) ◽  
pp. 56026-56030 ◽  
Author(s):  
Davide Fracasso ◽  
Sumit Kumar ◽  
Petra Rudolf ◽  
Ryan C. Chiechi
Keyword(s):  
Molecular Electronics ◽  
Self Assembled Monolayers ◽  
Bottom Up ◽  
Assembled Monolayers ◽  
Tunneling Junctions ◽  
Self Assembled ◽  
Terminal Acetylenes

Why use thiols in Molecular Electronics?

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