Quantum theory of electronic and thermal transport through nano-scale and single-molecule devices (original) (raw)
A New Approach to Materials Discovery for Electronic and Thermoelectric Properties of Single-Molecule Junctions
Qusiy Al-Galiby
Nano Letters, 2016
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Comparison of electronic transport measurements on organic molecules
adi salomon
Advanced …, 2003
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Quantitatively accurate calculations of conductance and thermopower of molecular junctions
Troels Markussen
physica status solidi (b), 2013
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Electrical Transport through Single-Molecule Junctions: From Molecular Orbitals to Conduction Channels
G. Schoen
Physical Review Letters, 2002
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Molecular Structure–(Thermo)electric Property Relationships in Single-Molecule Junctions and Comparisons with Single- and Multiple-Parameter Models
Masnun Naher
Journal of the American Chemical Society, 2021
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Many-body theory of electronic transport in single-molecule heterojunctions
Charles Stafford
Physical Review B Condensed Matter and Materials Physics, 2009
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Simultaneous description of conductance and thermopower in single-molecule junctions from many-body ab initio calculations
Troels Markussen
Physical Review B, 2014
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Thermo-Electrical Conduction of the 2,7-Di([1,1′-Biphenyl]-4-yl)-9H-Fluorene Molecular System: Coupling between Benzene Rings and Stereoelectronic Effects
Judith Helena Ojeda Silva
Molecules
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Dependence of single-molecule junction conductance on molecular conformation
Michael Steigerwald, M. Kamenetska
Nature, 2006
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First-Principles Calculation of Transport Properties of a Molecular Device
Massimiliano Di Ventra
Physical Review Letters, 2000
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Quantum theory of sensing and thermoelectricity in molecular nanostructures
Qusiy Al-Galiby
2016
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Density-functional study of tilt-angle and temperature-dependent conductance in biphenyl dithiol single-molecule junctions
G. Schoen
Physical Review B, 2008
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Thermal transport of molecular junctions in the pair tunneling regime
K. Wysokinski
Physical Review B, 2010
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Revealing the Role of Anchoring Groups in the Electrical Conduction Through Single-Molecule Junctions
Juan Cuevas
Small, 2010
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Probing the chemistry of molecular heterojunctions using thermoelectricity
Pramodh Reddy
Nano …, 2008
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First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes
Troels Markussen
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Quantum Theoretical Study on Current-Voltage Characteristics in Molecular Transport Phenomena
Sawanya Suwannawong
2016
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Investigation of the charge transport in model single molecule junctions based on expanded bipyridinium molecular conductors
Michal Valasek
Electrochimica Acta, 2019
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First-principles study of the variation of electron transport in a single molecular junction with the length of the molecular wire
Partha Pal
Physical Review B, 2010
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Single-Molecule Circuits with Well-Defined Molecular Conductance
Michael Steigerwald
Nano Letters, 2006
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Heat dissipation and its relation to thermopower in single-molecule junctions
WOOCHUL LEE
New Journal of Physics, 2014
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Transport properties of molecular junctions from many-body perturbation theory
Gian-marco Rignanese
Physical Review B, 2011
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Charge Transport in Conjugated Aromatic Molecular Junctions: Molecular Conjugation and Molecule-Electrode Coupling
Gershom (Jan M.L.) Martin
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Quantum Transport Through Heterocyclic Molecules
Sourav Karmakar
International Journal of Modern Physics B, 2009
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Resonant transport and electrostatic effects in single-molecule electrical junctions
Linda A . Zotti, Simon Higgins
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Conformation dependence of molecular conductance: chemistry versus geometry
Steven Bailey, Colin Lambert
Journal of Physics: Condensed Matter, 2008
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Electronics and Chemistry: Varying Single-Molecule Junction Conductance Using Chemical Substituents
Michael Steigerwald
Nano Letters, 2007
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Tuning the conductance of benzene-based single-molecule junctions
Rafal Topolnicki
Organic Electronics, 2016
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Electrical conductance of oligoyne molecular wires: extent of conjugation and role of anchoring group
Murat Gulcur
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Heat dissipation and its relation to molecular orbital energies in single-molecule junctions
Yaghoob Naimi
physica status solidi (b), 2015
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Intrinsic charge transport in single crystals of organic molecular semiconductors: A theoretical perspective
V. Coropceanu
MRS Bulletin, 2013
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The effect of fluctuations, thermal and otherwise, on the temperature dependence of thermopower in aromatic chain single-molecule junctions
Yonatan Dubi
The Journal of Chemical Physics, 2013
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Electronic and thermal properties of Biphenyl molecules
Fabian Gonzalo Medina Cuy
Superlattices and Microstructures, 2015
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Correlation Analysis of Atomic and Single-Molecule Junction Conductance
Peter Makk
ACS Nano, 2012
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