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Title: Structure–property relationships in atomic-scale junctions: Histograms and beyond

Abstract

Over the past 10 years, there has been tremendous progress in the measurement, modeling and understanding of structure–function relationships in single molecule junctions. Numerous research groups have addressed significant scientific questions, directed both to conductance phenomena at the single molecule level and to the fundamental chemistry that controls junction functionality. Many different functionalities have been demonstrated, including single-molecule diodes, optically and mechanically activated switches, and, significantly, physical phenomena with no classical analogues, such as those based on quantum interference effects. Experimental techniques for reliable and reproducible single molecule junction formation and characterization have led to this progress. In particular, the scanning tunneling microscope based break-junction (STM-BJ) technique has enabled rapid, sequential measurement of large numbers of nanoscale junctions allowing a statistical analysis to readily distinguish reproducible characteristics. Furthermore, harnessing fundamental link chemistry has provided the necessary chemical control over junction formation, enabling measurements that revealed clear relationships between molecular structure and conductance characteristics.

Authors:
 [1]
  1. Columbia Univ., New York, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1246793
Report Number(s):
BNL-111964-2016-JA
Journal ID: ISSN 0001-4842; KC0403020
Grant/Contract Number:  
SC00112704
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Accounts of Chemical Research
Additional Journal Information:
Journal Volume: 49; Journal Issue: 3; Journal ID: ISSN 0001-4842
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Mark S. Hybertsen, and Venkataraman, Latha. Structure–property relationships in atomic-scale junctions: Histograms and beyond. United States: N. p., 2016. Web. doi:10.1021/acs.accounts.6b00004.
Mark S. Hybertsen, & Venkataraman, Latha. Structure–property relationships in atomic-scale junctions: Histograms and beyond. United States. https://doi.org/10.1021/acs.accounts.6b00004
Mark S. Hybertsen, and Venkataraman, Latha. 2016. "Structure–property relationships in atomic-scale junctions: Histograms and beyond". United States. https://doi.org/10.1021/acs.accounts.6b00004. https://www.osti.gov/servlets/purl/1246793.
@article{osti_1246793,
title = {Structure–property relationships in atomic-scale junctions: Histograms and beyond},
author = {Mark S. Hybertsen and Venkataraman, Latha},
abstractNote = {Over the past 10 years, there has been tremendous progress in the measurement, modeling and understanding of structure–function relationships in single molecule junctions. Numerous research groups have addressed significant scientific questions, directed both to conductance phenomena at the single molecule level and to the fundamental chemistry that controls junction functionality. Many different functionalities have been demonstrated, including single-molecule diodes, optically and mechanically activated switches, and, significantly, physical phenomena with no classical analogues, such as those based on quantum interference effects. Experimental techniques for reliable and reproducible single molecule junction formation and characterization have led to this progress. In particular, the scanning tunneling microscope based break-junction (STM-BJ) technique has enabled rapid, sequential measurement of large numbers of nanoscale junctions allowing a statistical analysis to readily distinguish reproducible characteristics. Furthermore, harnessing fundamental link chemistry has provided the necessary chemical control over junction formation, enabling measurements that revealed clear relationships between molecular structure and conductance characteristics.},
doi = {10.1021/acs.accounts.6b00004},
url = {https://www.osti.gov/biblio/1246793}, journal = {Accounts of Chemical Research},
issn = {0001-4842},
number = 3,
volume = 49,
place = {United States},
year = {Thu Mar 03 00:00:00 EST 2016},
month = {Thu Mar 03 00:00:00 EST 2016}
}

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Works referenced in this record:

Molecular rectifiers
journal, November 1974


Conductance of a Molecular Junction
journal, October 1997


Electron Transport in Molecular Wire Junctions
journal, May 2003


Progress with Molecular Electronic Junctions: Meeting Experimental Challenges in Design and Fabrication
journal, November 2009


Single-molecule junctions beyond electronic transport
journal, June 2013


Single-Molecule Electronics: Chemical and Analytical Perspectives
journal, July 2015


Single-Molecule Circuits with Well-Defined Molecular Conductance
journal, February 2006


Dependence of single-molecule junction conductance on molecular conformation
journal, August 2006


Electrolyte Gating in Redox-Active Tunneling Junctions—An Electrochemical STM Approach
journal, November 2008


Mechanically controlled binary conductance switching of a single-molecule junction
journal, March 2009


Thermoelectricity in Molecular Junctions
journal, March 2007


Adjustable nanofabricated atomic size contacts
journal, January 1996


Measurements of Single-Molecule Electromechanical Properties
journal, December 2003


Mechanics and Chemistry: Single Molecule Bond Rupture Forces Correlate with Molecular Backbone Structure
journal, April 2011


Van der Waals interactions at metal/organic interfaces at the single-molecule level
journal, August 2012


Amine−Gold Linked Single-Molecule Circuits:  Experiment and Theory
journal, November 2007


Impact of Electrode Density of States on Transport through Pyridine-Linked Single Molecule Junctions
journal, June 2015


Quantitative Bond Energetics in Atomic-Scale Junctions
journal, June 2014


Amine-linked single-molecule circuits: systematic trends across molecular families
journal, August 2008


Formation and Evolution of Single-Molecule Junctions
journal, March 2009


Conductance of Molecular Junctions Formed with Silver Electrodes
journal, June 2013


In situ formation of highly conducting covalent Au–C contacts for single-molecule junctions
journal, May 2011


Highly Conducting π-Conjugated Molecular Junctions Covalently Bonded to Gold Electrodes
journal, November 2011


Length-Dependent Thermopower of Highly Conducting Au–C Bonded Single Molecule Junctions
journal, May 2013


Trimethyltin-Mediated Covalent Gold–Carbon Bond Formation
journal, September 2014


Frustrated Rotations in Single-Molecule Junctions
journal, August 2009


Importance of Direct Metal−π Coupling in Electronic Transport Through Conjugated Single-Molecule Junctions
journal, December 2012


Determination of Energy Level Alignment and Coupling Strength in 4,4′-Bipyridine Single-Molecule Junctions
journal, January 2014


Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces
journal, November 2006


Length Dependence of Conductance in Aromatic Single-Molecule Junctions
journal, November 2009


Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions
journal, March 2011


Pulling Monatomic Gold Wires with Single Molecules: An Ab Initio Simulation
journal, October 2002


Conductance of Alkanedithiol Single-Molecule Junctions: A Molecular Dynamics Study
journal, January 2009


Molecular junctions based on aromatic coupling
journal, August 2008


Large tunable image-charge effects in single-molecule junctions
journal, March 2013


Probing the Chemistry of Molecular Heterojunctions Using Thermoelectricity
journal, February 2008


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Probabilistic mapping of single molecule junction configurations as a tool to achieve the desired geometry of asymmetric tripodal molecules
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Experimental investigation of quantum interference in charge transport through molecular architectures
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Activation–relaxation processes and related effects in quantum conductance of molecular junctions
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Non-chemisorbed gold–sulfur binding prevails in self-assembled monolayers
journal, March 2019


Inorganic and Organometallic Molecular Wires for Single-Molecule Devices
journal, February 2017


Single-molecule quantum-transport phenomena in break junctions
journal, May 2019


Non-equilibrium Green’s function transport theory for molecular junctions with general molecule-lead coupling and temperatures
journal, December 2018


A Magic Ratio Rule for Beginners: A Chemist's Guide to Quantum Interference in Molecules
journal, January 2018


Evolution of local conductance pathways in a single-molecule junction studied using the three-dimensional dynamic probe method
journal, January 2019


Inorganic and Organometallic Molecular Wires for Single-Molecule Devices
journal, February 2017


The effect of nitrogen lone-pair interaction on the conduction in a single-molecule junction with amine-Au bonding
journal, March 2018