Perspective: Thermal and thermoelectric transport in molecular junctions

Cui, Longji; Miao, Ruijiao; Jiang, Chang; Meyhofer, Edgar; Reddy, Pramod

doi:10.1063/1.4976982

Title: Perspective: Thermal and thermoelectric transport in molecular junctions

Abstract

With the advent of molecular electronics, tremendous attention has been paid towards understanding the structure-function relationship of molecular junctions. Understanding how heat is transported, dissipated, and converted into electricity in molecular junctions is of great importance for designing thermally robust molecular circuits and high-performance energy conversion devices. Further, the study of thermal and thermoelectric phenomena in molecular junctions provides novel insights into the limits of applicability of classical laws. Here in this paper, we present a review of the computational and experimental progress made in probing thermoelectric effects, thermal conduction, heat dissipation, and local heating/cooling in self-assembled monolayer and single molecule junctions. Finally, we also discuss some outstanding challenges and potential future directions.

Authors:

Cui, Longji ^[1]; Miao, Ruijiao ^[1]; Jiang, Chang ^[1]; Meyhofer, Edgar ^[1]; Reddy, Pramod ^[2]

Univ. of Michigan, Ann Arbor, MI (United States). Department of Mechanical Engineering
Univ. of Michigan, Ann Arbor, MI (United States). Department of Mechanical Engineering and Department of Materials Science and Engineering

Publication Date:: Wed Mar 01 00:00:00 EST 2017

Research Org.:: Univ. of Michigan, Ann Arbor, MI (United States). Department of Mechanical Engineering

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

OSTI Identifier:: 1465940

Alternate Identifier(s):: OSTI ID: 1349357

Grant/Contract Number:: SC0004871

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 146; Journal Issue: 9; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats


                    Cui, Longji, Miao, Ruijiao, Jiang, Chang, Meyhofer, Edgar, and Reddy, Pramod. Perspective: Thermal and thermoelectric transport in molecular junctions.  United States: N. p., 2017. 
Web.  doi:10.1063/1.4976982.

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                    Cui, Longji, Miao, Ruijiao, Jiang, Chang, Meyhofer, Edgar, & Reddy, Pramod. Perspective: Thermal and thermoelectric transport in molecular junctions.  United States.  https://doi.org/10.1063/1.4976982

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                    Cui, Longji, Miao, Ruijiao, Jiang, Chang, Meyhofer, Edgar, and Reddy, Pramod. Wed .  
"Perspective: Thermal and thermoelectric transport in molecular junctions".  United States.  https://doi.org/10.1063/1.4976982.  https://www.osti.gov/servlets/purl/1465940.

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@article{osti_1465940,

  title        = {Perspective: Thermal and thermoelectric transport in molecular junctions},

  author       = {Cui, Longji and Miao, Ruijiao and Jiang, Chang and Meyhofer, Edgar and Reddy, Pramod},

  abstractNote = {With the advent of molecular electronics, tremendous attention has been paid towards understanding the structure-function relationship of molecular junctions. Understanding how heat is transported, dissipated, and converted into electricity in molecular junctions is of great importance for designing thermally robust molecular circuits and high-performance energy conversion devices. Further, the study of thermal and thermoelectric phenomena in molecular junctions provides novel insights into the limits of applicability of classical laws. Here in this paper, we present a review of the computational and experimental progress made in probing thermoelectric effects, thermal conduction, heat dissipation, and local heating/cooling in self-assembled monolayer and single molecule junctions. Finally, we also discuss some outstanding challenges and potential future directions.},

  doi          = {10.1063/1.4976982},

  journal      = {Journal of Chemical Physics},

  number       = 9,

  volume       = 146,

  place        = {United States},

  year         = {Wed Mar 01 00:00:00 EST 2017},

  month        = {Wed Mar 01 00:00:00 EST 2017}

}

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Journal of Physics A: Mathematical and Theoretical, Vol. 50, Issue 43
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Thermal and Thermoelectric Properties of Molecular Junctions
journal, August 2019

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Journal of Materials Chemistry A, Vol. 7, Issue 24
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Yang, Yang; Gu, Changzhi; Li, Junjie
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Physical Review B, Vol. 103, Issue 10
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Harnessing symmetry to control quantum transport
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Manzano, D.; Hurtado, P. I.
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arXiv
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Title: Perspective: Thermal and thermoelectric transport in molecular junctions

Abstract

Citation Formats

Engineering the Thermopower of C 60 Molecular Junctions journal, April 2013

Thermal conductance through molecular wires text, January 2003

From Chemistry to Functionality: Trends for the Length Dependence of the Thermopower in Molecular Junctions journal, June 2015

Temperature- and Light-Induced Spin Crossover Observed by X-ray Spectroscopy on Isolated Fe(II) Complexes on Gold journal, April 2013

Temperature dependence of thermopower in molecular junctions journal, July 2016

Thermoelectric effect in molecular electronics journal, June 2003

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

Single-molecule electronics: from chemical design to functional devices journal, January 2014

Thermopower of atomic-size metallic contacts text, January 1998

Giant thermopower and figure of merit in single-molecule devices journal, January 2009

Controlling the Thermoelectric Properties of Thiophene-Derived Single-Molecule Junctions journal, December 2014

Measurement of Current-Induced Local Heating in a Single Molecule Junction journal, June 2006

Local electron heating in nanoscale conductors text, January 2006

The Nature of Transport Variations in Molecular Heterojunction Electronics journal, October 2009

Heating and cooling mechanisms in single-molecule junctions journal, March 2010

Observation of quantum interference in molecular charge transport journal, March 2012

Thermoelectric properties of a nanocontact made of two-capped single-wall carbon nanotubes calculated within the tight-binding approximation journal, February 2006

Theoretical study of the charge transport through C 60 -based single-molecule junctions journal, May 2012

Fabrication of metallic electrodes with nanometer separation by electromigration journal, July 1999

Energy balance and heat exchange in mesoscopic systems journal, August 1992

Thermoelectricity at the molecular scale: a large Seebeck effect in endohedral metallofullerenes journal, January 2015

Observation of molecular orbital gating journal, December 2009

Formation and manipulation of a metallic wire of single gold atoms journal, October 1998

Gold nanocrystal arrays as a macroscopic platform for molecular junction thermoelectrics journal, January 2015

Resonant electron transport in single-molecule junctions: Vibrational excitation, rectification, negative differential resistance, and local cooling journal, March 2011

Nuclear Coupling and Polarization in Molecular Transport Junctions: Beyond Tunneling to Function journal, February 2008

Surface Functionalization Mechanisms of Enhancing Heat Transfer at Solid-Liquid Interfaces journal, April 2011

Identifying the Length Dependence of Orbital Alignment and Contact Coupling in Molecular Heterojunctions journal, March 2009

Thermal conductance through molecular wires journal, October 2003

Study of radiative heat transfer in Ångström- and nanometre-sized gaps journal, February 2017

Sandwich-type gated mechanical break junctions journal, June 2010

Fano resonances in nanoscale structures text, January 2009

A frequency-domain thermoreflectance method for the characterization of thermal properties journal, September 2009

Electrical Manipulation of Spin States in a Single Electrostatically Gated Transition-Metal Complex journal, January 2010

Molecular length dictates the nature of charge carriers in single-molecule junctions of oxidized oligothiophenes journal, February 2015

Coherent Transport through Spin-Crossover Single Molecules journal, December 2011

Simultaneous Determination of Conductance and Thermopower of Single Molecule Junctions journal, December 2011

Colloquium : Phononics: Manipulating heat flow with electronic analogs and beyond journal, July 2012

Conductance determined by transmission: probes and quantised constriction resistance journal, October 1989

Quantum-interference-enhanced thermoelectricity in single molecules and molecular films journal, December 2016

DNA-based thermoelectric devices: A theoretical prospective journal, January 2007

Measurement of the conductance of a hydrogen molecule journal, October 2002

Inelastic effects on the transport properties of alkanethiols text, January 2004

Forty years of molecular electronics: Non-equilibrium heat and charge transport at the nanoscale: Forty years of molecular electronics journal, October 2013

Thermoelectricity in Molecular Junctions journal, March 2007

Local Heating in Metal−Molecule−Metal Junctions journal, October 2008

Measurement of Single-Molecule Conductance journal, May 2007

Room temperature thermal conductance of alkanedithiol self-assembled monolayers journal, October 2006

Forty years of molecular electronics: Non-equilibrium heat and charge transport at the nanoscale journal, November 2013

Fano resonances in nanoscale structures journal, August 2010

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

Theoretical study of the charge transport through C60-based single-molecule junctions text, January 2012

Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts journal, January 2010

Spin-crossover molecule based thermoelectric junction journal, May 2015

The high-bias stability of monatomic chains journal, May 2004

Feeling the squeeze journal, February 2016

Molecular design and control of fullerene-based bi-thermoelectric materials text, January 2016

Surface Functionalization Mechanisms of Enhancing Heat Transfer at Solid-Liquid Interfaces conference, March 2011

Molecular rectifiers journal, November 1974

Local Electron Heating in Nanoscale Conductors journal, December 2006

Ultrafast Flash Thermal Conductance of Molecular Chains journal, August 2007

Phonon interference effects in molecular junctions journal, December 2013

Proposal for a single-molecule field-effect transistor for phonons journal, January 2010

Electron transport in molecular junctions journal, December 2006

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

Thermal conductivity of a single polymer chain journal, May 1987

Thermoelectric voltage measurements of atomic and molecular wires using microheater-embedded mechanically-controllable break junctions journal, January 2014

Inelastic electron tunneling spectroscopy journal, November 2008

Fundamentals of energy transport, energy conversion, and thermal properties in organic–inorganic heterojunctions journal, May 2010

Thermal conductivity measurement from 30 to 750 K: the 3ω method journal, February 1990

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

Inelastic Electron Tunneling Spectroscopy book, January 2018

Mechanically Controllable Break Junctions for Molecular Electronics journal, August 2013

Effects of chemical bonding on heat transport across interfaces journal, April 2012

Ab initio study of the thermopower of biphenyl-based single-molecule junctions journal, September 2012

End group effect on electrical transport through individual molecules: A microscopic study journal, February 2004

Thermal conduction in classical low-dimensional lattices journal, April 2003

Engineering the Thermopower of C ₆₀ Molecular Junctions
journal, April 2013

Thermal conductance through molecular wires
text, January 2003

From Chemistry to Functionality: Trends for the Length Dependence of the Thermopower in Molecular Junctions
journal, June 2015

Temperature- and Light-Induced Spin Crossover Observed by X-ray Spectroscopy on Isolated Fe(II) Complexes on Gold
journal, April 2013

Temperature dependence of thermopower in molecular junctions
journal, July 2016

Thermoelectric effect in molecular electronics
journal, June 2003

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

Single-molecule electronics: from chemical design to functional devices
journal, January 2014

Thermopower of atomic-size metallic contacts
text, January 1998

Giant thermopower and figure of merit in single-molecule devices
journal, January 2009

Controlling the Thermoelectric Properties of Thiophene-Derived Single-Molecule Junctions
journal, December 2014

Measurement of Current-Induced Local Heating in a Single Molecule Junction
journal, June 2006

Local electron heating in nanoscale conductors
text, January 2006

The Nature of Transport Variations in Molecular Heterojunction Electronics
journal, October 2009

Heating and cooling mechanisms in single-molecule junctions
journal, March 2010

Observation of quantum interference in molecular charge transport
journal, March 2012

Thermoelectric properties of a nanocontact made of two-capped single-wall carbon nanotubes calculated within the tight-binding approximation
journal, February 2006

Theoretical study of the charge transport through C $_{60}$ -based single-molecule junctions
journal, May 2012

Fabrication of metallic electrodes with nanometer separation by electromigration
journal, July 1999

Energy balance and heat exchange in mesoscopic systems
journal, August 1992

Thermoelectricity at the molecular scale: a large Seebeck effect in endohedral metallofullerenes
journal, January 2015

Observation of molecular orbital gating
journal, December 2009

Formation and manipulation of a metallic wire of single gold atoms
journal, October 1998

Gold nanocrystal arrays as a macroscopic platform for molecular junction thermoelectrics
journal, January 2015

Resonant electron transport in single-molecule junctions: Vibrational excitation, rectification, negative differential resistance, and local cooling
journal, March 2011

Nuclear Coupling and Polarization in Molecular Transport Junctions: Beyond Tunneling to Function
journal, February 2008

Surface Functionalization Mechanisms of Enhancing Heat Transfer at Solid-Liquid Interfaces
journal, April 2011

Identifying the Length Dependence of Orbital Alignment and Contact Coupling in Molecular Heterojunctions
journal, March 2009

Thermal conductance through molecular wires
journal, October 2003

Study of radiative heat transfer in Ångström- and nanometre-sized gaps
journal, February 2017

Sandwich-type gated mechanical break junctions
journal, June 2010

Fano resonances in nanoscale structures
text, January 2009

A frequency-domain thermoreflectance method for the characterization of thermal properties
journal, September 2009

Electrical Manipulation of Spin States in a Single Electrostatically Gated Transition-Metal Complex
journal, January 2010

Molecular length dictates the nature of charge carriers in single-molecule junctions of oxidized oligothiophenes
journal, February 2015

Coherent Transport through Spin-Crossover Single Molecules
journal, December 2011

Simultaneous Determination of Conductance and Thermopower of Single Molecule Junctions
journal, December 2011

Colloquium : Phononics: Manipulating heat flow with electronic analogs and beyond
journal, July 2012

Conductance determined by transmission: probes and quantised constriction resistance
journal, October 1989

Quantum-interference-enhanced thermoelectricity in single molecules and molecular films
journal, December 2016

DNA-based thermoelectric devices: A theoretical prospective
journal, January 2007

Measurement of the conductance of a hydrogen molecule
journal, October 2002

Inelastic effects on the transport properties of alkanethiols
text, January 2004

Forty years of molecular electronics: Non-equilibrium heat and charge transport at the nanoscale: Forty years of molecular electronics
journal, October 2013

Thermoelectricity in Molecular Junctions
journal, March 2007

Local Heating in Metal−Molecule−Metal Junctions
journal, October 2008

Measurement of Single-Molecule Conductance
journal, May 2007

Room temperature thermal conductance of alkanedithiol self-assembled monolayers
journal, October 2006

Forty years of molecular electronics: Non-equilibrium heat and charge transport at the nanoscale
journal, November 2013

Fano resonances in nanoscale structures
journal, August 2010

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

Theoretical study of the charge transport through C60-based single-molecule junctions
text, January 2012

Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts
journal, January 2010

Spin-crossover molecule based thermoelectric junction
journal, May 2015

The high-bias stability of monatomic chains
journal, May 2004

Feeling the squeeze
journal, February 2016

Molecular design and control of fullerene-based bi-thermoelectric materials
text, January 2016

Surface Functionalization Mechanisms of Enhancing Heat Transfer at Solid-Liquid Interfaces
conference, March 2011

Molecular rectifiers
journal, November 1974

Local Electron Heating in Nanoscale Conductors
journal, December 2006

Ultrafast Flash Thermal Conductance of Molecular Chains
journal, August 2007

Phonon interference effects in molecular junctions
journal, December 2013

Proposal for a single-molecule field-effect transistor for phonons
journal, January 2010

Electron transport in molecular junctions
journal, December 2006

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

Thermal conductivity of a single polymer chain
journal, May 1987

Thermoelectric voltage measurements of atomic and molecular wires using microheater-embedded mechanically-controllable break junctions
journal, January 2014

Inelastic electron tunneling spectroscopy
journal, November 2008

Fundamentals of energy transport, energy conversion, and thermal properties in organic–inorganic heterojunctions
journal, May 2010

Thermal conductivity measurement from 30 to 750 K: the 3ω method
journal, February 1990

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

Inelastic Electron Tunneling Spectroscopy
book, January 2018

Mechanically Controllable Break Junctions for Molecular Electronics
journal, August 2013

Effects of chemical bonding on heat transport across interfaces
journal, April 2012

Ab initio study of the thermopower of biphenyl-based single-molecule junctions
journal, September 2012

End group effect on electrical transport through individual molecules: A microscopic study
journal, February 2004

Thermal conduction in classical low-dimensional lattices
journal, April 2003

Giant Thermoelectric Effect from Transmission Supernodes
text, January 2010

Electron tunneling experiments using Nb‐Sn ‘‘break’’ junctions
journal, November 1985

Length-dependent thermal conductivity of single extended polymer chains
journal, September 2012