scholarly journals Vibrational Excitations in Weakly Coupled Single-Molecule Junctions: A Computational Analysis

ACS Nano ◽  
2008 ◽  
Vol 2 (7) ◽  
pp. 1445-1451 ◽  
Author(s):  
Johannes S. Seldenthuis ◽  
Herre S. J. van der Zant ◽  
Mark A. Ratner ◽  
Joseph M. Thijssen
Keyword(s):  
Single Molecule ◽  
Computational Analysis ◽  
Weakly Coupled ◽  
Single Molecule Junctions ◽  
Vibrational Excitations

Molecular Wires in Single-Molecule Junctions: Charge Transport and Vibrational Excitations

ChemPhysChem ◽  
2010 ◽  
Vol 11 (10) ◽  
pp. 2256-2260 ◽  
Author(s):  
Stefan Ballmann ◽  
Wolfgang Hieringer ◽  
Daniel Secker ◽  
Qinglin Zheng ◽  
John A. Gladysz ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Molecule ◽  
Molecular Wires ◽  
Single Molecule Junctions ◽  
Vibrational Excitations

scholarly journals Electroluminescence spectra in weakly coupled single-molecule junctions

2010 ◽  
Vol 81 (20) ◽  
Author(s):  
J. S. Seldenthuis ◽  
H. S. J. van der Zant ◽  
M. A. Ratner ◽  
J. M. Thijssen
Keyword(s):  
Single Molecule ◽  
Weakly Coupled ◽  
Single Molecule Junctions

scholarly journals Understanding resonant charge transport through weakly coupled single-molecule junctions

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
James O. Thomas ◽  
Bart Limburg ◽  
Jakub K. Sowa ◽  
Kyle Willick ◽  
Jonathan Baugh ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Molecule ◽  
Local Environment ◽  
Single Mode ◽  
Molecular Junctions ◽  
Vibrational Coupling ◽  
Weakly Coupled ◽  
Single Molecule Electronics ◽  
Single Molecule Junctions ◽  
Quantitative Understanding

Abstract Off-resonant charge transport through molecular junctions has been extensively studied since the advent of single-molecule electronics and is now well understood within the framework of the non-interacting Landauer approach. Conversely, gaining a qualitative and quantitative understanding of the resonant transport regime has proven more elusive. Here, we study resonant charge transport through graphene-based zinc-porphyrin junctions. We experimentally demonstrate an inadequacy of non-interacting Landauer theory as well as the conventional single-mode Franck–Condon model. Instead, we model overall charge transport as a sequence of non-adiabatic electron transfers, with rates depending on both outer and inner-sphere vibrational interactions. We show that the transport properties of our molecular junctions are determined by a combination of electron–electron and electron-vibrational coupling, and are sensitive to interactions with the wider local environment. Furthermore, we assess the importance of nuclear tunnelling and examine the suitability of semi-classical Marcus theory as a description of charge transport in molecular devices.

Vibrational Excitations & Conformational Switching in Single-Molecule Junctions

2018 ◽  
Author(s):  
Johannes V. Barth ◽  
Hai Bi ◽  
Carlos-Andres Palma ◽  
Yuxian Gong ◽  
Peter Hasch ◽  
...  
Keyword(s):  
Single Molecule ◽  
Conformational Switching ◽  
Single Molecule Junctions ◽  
Vibrational Excitations

Vibrational Excitations & Conformational Switching in Single-Molecule Junctions

2018 ◽  
Author(s):  
Johannes V. Barth ◽  
Hai Bi ◽  
Carlos-Andres Palma ◽  
Yuxian Gong ◽  
Peter Hasch ◽  
...  
Keyword(s):  
Single Molecule ◽  
Conformational Switching ◽  
Single Molecule Junctions ◽  
Vibrational Excitations

Mechanically-Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions

2020 ◽  
Author(s):  
María Camarasa-Gómez ◽  
Daniel Hernangómez-Pérez ◽  
Michael S. Inkpen ◽  
Giacomo Lovat ◽  
E-Dean Fung ◽  
...  
Keyword(s):  
Single Molecule ◽  
Quantum Interference ◽  
Degrees Of Freedom ◽  
Building Blocks ◽  
Ferrocene Derivative ◽  
Single Molecule Junctions ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
The Impact ◽  
D Orbitals

Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted<br>some interest as functional elements of molecular-scale devices. Here we investigate the impact of<br>the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction<br>conductance. Measurements indicate that the conductance of the ferrocene derivative, which is<br>suppressed by two orders of magnitude as compared to a fully conjugated analog, can be modulated<br>by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects that arise from the hybridization of metal-based d-orbitals and the ligand-based π-system. By rotating the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally.<br>

Charge Transfer Complexation Boosts Molecular Conductance Through Fermi Level Pinning

2018 ◽  
Author(s):  
Kun Wang ◽  
Andrea Vezzoli ◽  
Iain Grace ◽  
Maeve McLaughlin ◽  
Richard Nichols ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Single Molecule ◽  
Quantum Interference ◽  
Transmission Function ◽  
Scanning Tunneling ◽  
Charge Transfer Complexes ◽  
Tunneling Microscopy ◽  
Quantum Interference Effect ◽  
Single Molecule Junctions ◽  
Charge Transfer Complexation

We have used scanning tunneling microscopy to create and study single molecule junctions with thioether-terminated oligothiophene molecules. We find that the conductance of these junctions increases upon formation of charge transfer complexes of the molecules with tetracyanoethene, and that the extent of the conductance increase is greater the longer is the oligothiophene, i.e. the lower is the conductance of the uncomplexed molecule in the junction. We use non-equilibrium Green's function transport calculations to explore the reasons for this theoretically, and find that new resonances appear in the transmission function, pinned close to the Fermi energy of the contacts, as a consequence of the charge transfer interaction. This is an example of a room temperature quantum interference effect, which in this case boosts junction conductance in contrast to earlier observations of QI that result in diminished conductance.<br>

Dissecting Contact Mechanics from Quantum Interference in Single-Molecule Junctions of Stilbene Derivatives

Nano Letters ◽  
2012 ◽  
Vol 12 (3) ◽  
pp. 1643-1647 ◽  
Author(s):  
Sriharsha V. Aradhya ◽  
Jeffrey S. Meisner ◽  
Markrete Krikorian ◽  
Seokhoon Ahn ◽  
Radha Parameswaran ◽  
...  
Keyword(s):  
Contact Mechanics ◽  
Single Molecule ◽  
Quantum Interference ◽  
Single Molecule Junctions ◽  
Stilbene Derivatives

scholarly journals Correction: Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives

Nanoscale ◽  
2021 ◽  
Vol 13 (8) ◽  
pp. 4685-4686
Author(s):  
Hervé Dekkiche ◽  
Andrea Gemma ◽  
Fatemeh Tabatabaei ◽  
Andrei S. Batsanov ◽  
Thomas Niehaus ◽  
...  
Keyword(s):  
Single Molecule ◽  
Single Molecule Junctions ◽  
Electronic Conductance

Correction for ‘Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives’ by Hervé Dekkiche et al., Nanoscale, 2020, 12, 18908–18917, DOI: 10.1039/D0NR04413J.

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