Directed nanoscale self-assembly of molecular wires interconnecting nodal points using Monte Carlo simulations

Boscoboinik, A. M.; Manzi, S. J.; Tysoe, W. T.; Pereyra, V. D.; Boscoboinik, J. A.

doi:10.1021/acs.chemmater.5b02413

Title: Directed nanoscale self-assembly of molecular wires interconnecting nodal points using Monte Carlo simulations

Journal Article · Thu Sep 10 00:00:00 EDT 2015 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.5b02413· OSTI ID:1222611

Boscoboinik, A. M. ^[1]; Manzi, S. J. ^[1]; Tysoe, W. T. ^[2]; Pereyra, V. D. ^[1]; Boscoboinik, J. A. ^[3]

Univ. Nacional de San Luis, San Luis (Argentina)
Univ. of Wisconsin-Milwaukee, Milwaukee, WI (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

The influence of directing agents in the self-assembly of molecular wires to produce two-dimensional electronic nanoarchitectures is studied here using a Monte Carlo approach to simulate the effect of arbitrarily locating nodal points on a surface, from which the growth of self-assembled molecular wires can be nucleated. This is compared to experimental results reported for the self-assembly of molecular wires when 1,4-phenylenediisocyanide (PDI) is adsorbed on Au(111). The latter results in the formation of (Au-PDI)_n organometallic chains, which were shown to be conductive when linked between gold nanoparticles on an insulating substrate. The present study analyzes, by means of stochastic methods, the influence of variables that affect the growth and design of self-assembled conductive nanoarchitectures, such as the distance between nodes, coverage of the monomeric units that leads to the formation of the desired architectures, and the interaction between the monomeric units. As a result, this study proposes an approach and sets the stage for the production of complex 2D nanoarchitectures using a bottom-up strategy but including the use of current state-of-the-art top-down technology as an integral part of the self-assembly strategy.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704

OSTI ID:: 1222611

Report Number(s):: BNL-108407-2015-JA; R&D Project: 16083; KC0403020

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 6 works

Citation information provided by
Web of Science

References (20)

Creation of Low-Coordination Gold Sites on Au(111) Surface by 1,4-phenylene Diisocyanide Adsorption Boscoboinik, Jorge; Kestell, John; Garvey, Michael Topics in Catalysis, Vol. 54, Issue 1-4 https://doi.org/10.1007/s11244-011-9642-9	journal	January 2011
Confinement of Electrons to Quantum Corrals on a Metal Surface Crommie, M. F.; Lutz, C. P.; Eigler, D. M. Science, Vol. 262, Issue 5131 https://doi.org/10.1126/science.262.5131.218	journal	October 1993
Fresh perspectives for surface coordination chemistry Barth, Johannes V. Surface Science, Vol. 603, Issue 10-12 https://doi.org/10.1016/j.susc.2008.09.049	journal	June 2009
Nanotechnology: Role in emerging nanoelectronics Yu, B.; Meyyappan, M. Solid-State Electronics, Vol. 50, Issue 4 https://doi.org/10.1016/j.sse.2006.03.028	journal	April 2006
Science and Engineering Beyond Moore's Law Cavin, R. K.; Lugli, P.; Zhirnov, V. V. Proceedings of the IEEE, Vol. 100, Issue Special Centennial Issue https://doi.org/10.1109/JPROC.2012.2190155	journal	May 2012
Molecular rectifiers Aviram, Arieh; Ratner, Mark A. Chemical Physics Letters, Vol. 29, Issue 2 https://doi.org/10.1016/0009-2614(74)85031-1	journal	November 1974
Measurement of Single-Molecule Resistance by Repeated Formation of Molecular Junctions Xu, B. Science, Vol. 301, Issue 5637 https://doi.org/10.1126/science.1087481	journal	August 2003
Conductance of a single molecule anchored by an isocyanide substituent to gold electrodes Kiguchi, Manabu; Miura, Shinichi; Hara, Kenji Applied Physics Letters, Vol. 89, Issue 21 https://doi.org/10.1063/1.2392816	journal	November 2006
Critical behavior of self-assembled rigid rods on two-dimensional lattices: Bethe-Peierls approximation and Monte Carlo simulations López, L. G.; Linares, D. H.; Ramirez-Pastor, A. J. The Journal of Chemical Physics, Vol. 138, Issue 23 https://doi.org/10.1063/1.4809987	journal	June 2013
Adsorption Structures and Electronic Properties of 1,4-Phenylene Diisocyanide on the Au(111) Surface Zhou, J.; Acharya, D.; Camillone, N. The Journal of Physical Chemistry C, Vol. 115, Issue 43 https://doi.org/10.1021/jp205349e	journal	October 2011
Self-Assembly at All Scales Whitesides, George M.; Grzybowski, Bartosz Science, Vol. 295, Issue 5564, p. 2418-2421 https://doi.org/10.1126/science.1070821	journal	March 2002
Imaging standing waves in a two-dimensional electron gas Crommie, M. F.; Lutz, C. P.; Eigler, D. M. Nature, Vol. 363, Issue 6429 https://doi.org/10.1038/363524a0	journal	June 1993
Structural Changes in Self-Catalyzed Adsorption of Carbon Monoxide on 1,4-Phenylene Diisocyanide Modified Au(111) Kestell, John; Boscoboinik, J. Anibal; Cheng, Lanxia The Journal of Physical Chemistry C, Vol. 119, Issue 32 https://doi.org/10.1021/acs.jpcc.5b04783	journal	August 2015
Exact Critical Percolation Probabilities for Site and Bond Problems in Two Dimensions Sykes, M. F.; Essam, J. W. Journal of Mathematical Physics, Vol. 5, Issue 8 https://doi.org/10.1063/1.1704215	journal	August 1964
Bottom-up organic integrated circuits Smits, Edsger C. P.; Mathijssen, Simon G. J.; van Hal, Paul A. Nature, Vol. 455, Issue 7215 https://doi.org/10.1038/nature07320	journal	October 2008
One-dimensional supramolecular surface structures: 1,4-diisocyanobenzene on Au(111) surfaces Boscoboinik, Jorge A.; Calaza, Florencia C.; Habeeb, Zeesham Physical Chemistry Chemical Physics, Vol. 12, Issue 37 https://doi.org/10.1039/c003239e	journal	January 2010
Understanding and Controlling the 1,4-Phenylene Diisocyanide–Gold Oligomer Formation Pathways Garvey, Michael; Kestell, John; Abuflaha, Rasha The Journal of Physical Chemistry C, Vol. 118, Issue 36 https://doi.org/10.1021/jp504799p	journal	August 2014
Diffusion Constants near the Critical Point for Time-Dependent Ising Models. I Kawasaki, Kyozi Physical Review, Vol. 145, Issue 1 https://doi.org/10.1103/PhysRev.145.224	journal	May 1966
Molecular Architectonic on Metal Surfaces Barth, Johannes V. Annual Review of Physical Chemistry, Vol. 58, Issue 1 https://doi.org/10.1146/annurev.physchem.56.092503.141259	journal	May 2007
Linking gold nanoparticles with conductive 1,4-phenylene diisocyanide–gold oligomers Kestell, John; Abuflaha, Rasha; Boscoboinik, J. Anibal Chemical Communications, Vol. 49, Issue 14 https://doi.org/10.1039/c2cc38389f	journal	January 2013

Cited By (1)

Chemical self-assembly strategies for designing molecular electronic circuits Olson, Dustin; Boscoboinik, Alejandro; Tysoe, Wilfred T. Chemical Communications, Vol. 55, Issue 92 https://doi.org/10.1039/c9cc07200d	journal	January 2019

Similar Records

Adsorption and oligomerization of 1,3-phenylene diisocyanide on Au(111)

Journal Article · Mon Apr 18 00:00:00 EDT 2016 · Journal of Physical Chemistry. C · OSTI ID:1222611

Kestell, John; Walker, Joshua; Bai, Yun; +3 more

Interfacial Structure and Electric Field Probed by in Situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling

Journal Article · Thu Aug 17 00:00:00 EDT 2017 · Journal of Physical Chemistry. C · OSTI ID:1222611

Ge, Aimin; Videla, Pablo E.; Lee, Gwendolynne L.; +5 more

Nanostructure-enhanced Phase Change Materials (NePCM) and HRD

Technical Report · Wed Nov 13 00:00:00 EST 2013 · OSTI ID:1222611

Khodadai, Jay

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY

Title: Directed nanoscale self-assembly of molecular wires interconnecting nodal points using Monte Carlo simulations

Citation Formats

References (20)

Cited By (1)

Similar Records

Related Subjects