Tunable Symmetry-Breaking-Induced Dual Functions in Stable and Photoswitched Single-Molecule Junctions

2021 ◽  
Author(s):  
Na Xin ◽  
Chen Hu ◽  
Hassan Al Sabea ◽  
Miao Zhang ◽  
Chenguang Zhou ◽  
...  
Keyword(s):  
Symmetry Breaking ◽  
Single Molecule ◽  
Single Molecule Junctions ◽  
Dual Functions

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.

scholarly journals A Dy(III) Fluorescent Single-Molecule Magnet Based on a Rhodamine 6G Ligand

Inorganics ◽  
2021 ◽  
Vol 9 (7) ◽  
pp. 51
Author(s):  
Lin Miao ◽  
Mei-Jiao Liu ◽  
Man-Man Ding ◽  
Yi-Quan Zhang ◽  
Hui-Zhong Kou
Keyword(s):  
Magnetic Properties ◽  
Single Molecule ◽  
Magnetic Relaxation ◽  
Rhodamine 6G ◽  
Bond Angle ◽  
Magnetic Measurements ◽  
Single Molecule Magnet ◽  
Lanthanide Metals ◽  
Process Studies ◽  
Dual Functions

The complexes of lanthanide metals, especially dysprosium, can generally exhibit excellent magnetic properties. By means of modifying ligands, dual functions or even multi-functions can be achieved. Here, we synthesized an eight-coordinate Dy(III) complex 1, [Dy(HL-o)2(MeOH)2](ClO4)3·4.5MeOH, which is single-molecule magnet (SMM), and the introduction of the rhodamine 6G chromophore in the ring-opened ligand HL-o realizes ligand-centered fluorescence in addition to SMM. Magnetic measurements and ab initio calculations indicate that the magnetic relaxation for complex 1 should be due to the Raman relaxation process. Studies on magneto-structural correlationship of the rhodamine salicylaldehyde hydrazone Dy(III) complexes show that the calculated energy of the first Kramers Doublet (EKD1) is basically related to the Ophenoxy-Dy-Ophenoxy bond angle, i.e., the larger Ophenoxy-Dy-Ophenoxy bond angle corresponds to a larger EKD1.

Reversible Switching between Destructive and Constructive Quantum Interference Using Atomically Precise Chemical Gating of Single-Molecule Junctions

2021 ◽  
Author(s):  
Chun Tang ◽  
Longfeng Huang ◽  
Sara Sangtarash ◽  
Mohammed Noori ◽  
Hatef Sadeghi ◽  
...  
Keyword(s):  
Single Molecule ◽  
Quantum Interference ◽  
Single Molecule Junctions ◽  
Chemical Gating

Electronic Structure and Transport Properties of Single-Molecule Junctions with Different Sizes of π-Conjugated System

2021 ◽  
Vol 125 (6) ◽  
pp. 3472-3479
Author(s):  
Yuji Isshiki ◽  
Tomoaki Nishino ◽  
Shintaro Fujii
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
Single Molecule ◽  
Single Molecule Junctions

Molecular Structure–(Thermo)electric Property Relationships in Single-Molecule Junctions and Comparisons with Single- and Multiple-Parameter Models

2021 ◽  
Vol 143 (10) ◽  
pp. 3817-3829
Author(s):  
Masnun Naher ◽  
David C. Milan ◽  
Oday A. Al-Owaedi ◽  
Inco J. Planje ◽  
Sören Bock ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Single Molecule ◽  
Electric Property ◽  
Thermo Electric ◽  
Multiple Parameter ◽  
Single Molecule Junctions

scholarly journals Tuning Single-Molecule Conductance by Controlled Electric Field-Induced trans-to-cis Isomerisation

2021 ◽  
Vol 11 (8) ◽  
pp. 3317
Author(s):  
C.S. Quintans ◽  
Denis Andrienko ◽  
Katrin F. Domke ◽  
Daniel Aravena ◽  
Sangho Koo ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Fields ◽  
Single Molecule ◽  
Quantum Interference ◽  
Single Molecule Level ◽  
Wet Chemical Synthesis ◽  
Single Molecule Junctions ◽  
Tunnelling Microscopy ◽  
The Difference

External electric fields (EEFs) have proven to be very efficient in catalysing chemical reactions, even those inaccessible via wet-chemical synthesis. At the single-molecule level, oriented EEFs have been successfully used to promote in situ single-molecule reactions in the absence of chemical catalysts. Here, we elucidate the effect of an EEFs on the structure and conductance of a molecular junction. Employing scanning tunnelling microscopy break junction (STM-BJ) experiments, we form and electrically characterize single-molecule junctions of two tetramethyl carotene isomers. Two discrete conductance signatures show up more prominently at low and high applied voltages which are univocally ascribed to the trans and cis isomers of the carotenoid, respectively. The difference in conductance between both cis-/trans- isomers is in concordance with previous predictions considering π-quantum interference due to the presence of a single gauche defect in the trans isomer. Electronic structure calculations suggest that the electric field polarizes the molecule and mixes the excited states. The mixed states have a (spectroscopically) allowed transition and, therefore, can both promote the cis-isomerization of the molecule and participate in electron transport. Our work opens new routes for the in situ control of isomerisation reactions in single-molecule contacts.

scholarly journals Unraveling current-induced dissociation mechanisms in single-molecule junctions

2021 ◽  
Vol 154 (23) ◽  
pp. 234702
Author(s):  
Yaling Ke ◽  
André Erpenbeck ◽  
Uri Peskin ◽  
Michael Thoss
Keyword(s):  
Single Molecule ◽  
Single Molecule Junctions ◽  
Dissociation Mechanisms
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