Electron–Phonon Coupling in Current-Driven Single-Molecule Junctions

2020 ◽  
Vol 142 (7) ◽  
pp. 3384-3391 ◽  
Author(s):  
Hai Bi ◽  
Carlos-Andres Palma ◽  
Yuxiang Gong ◽  
Klara Stallhofer ◽  
Matthias Nuber ◽  
...  
Keyword(s):  
Single Molecule ◽  
Phonon Coupling ◽  
Electron Phonon Coupling ◽  
Single Molecule Junctions

Revealing the Electron–Phonon Coupling in a Conjugated Polymer by Single-Molecule Spectroscopy

2007 ◽  
Vol 19 (15) ◽  
pp. 1978-1982 ◽  
Author(s):  
R. Hildner ◽  
U. Lemmer ◽  
U. Scherf ◽  
M. van Heel ◽  
J. Köhler
Keyword(s):  
Single Molecule ◽  
Conjugated Polymer ◽  
Single Molecule Spectroscopy ◽  
Phonon Coupling ◽  
Electron Phonon Coupling

ELECTRONIC CORRELATIONS AND ELECTRON-PHONON COUPLING IN C60

1993 ◽  
Vol 07 (15) ◽  
pp. 2859-2884 ◽  
Author(s):  
MARKKU I. SALKOLA ◽  
SUDIP CHAKRAVARTY ◽  
STEVEN A. KIVELSON
Keyword(s):  
Single Molecule ◽  
Phonon Spectrum ◽  
Correlation Effects ◽  
Phonon Coupling ◽  
Teller Distortion ◽  
Electron Phonon Coupling ◽  
Jahn Teller ◽  
Infrared Intensities ◽  
Doubly Charged ◽  
Jahn Teller Distortion

We study a model of a single molecule of C 60 to obtain an understanding of the interplay between the electron-electron and electron-phonon interactions in these molecules. In particular, we calculate the intramolecular phonon spectrum, infrared intensities, and the Raman intensities. We also find that when correlation effects are sufficiently strong, the Jahn-Teller distortion of the doubly charged molecule is suppressed. Thus, if the correlation effects are strong, the superconductivity in doped C 60 cannot be mediated by intra-molecular Jahn-Teller phonons.

scholarly journals Single Molecule Fluorescence Spectroscopy of PSI Trimers from Arthrospira platensis: A Computational Approach

Molecules ◽  
2019 ◽  
Vol 24 (4) ◽  
pp. 822 ◽  
Author(s):  
Roman Pishchalnikov ◽  
Vladimir Shubin ◽  
Andrei Razjivin
Keyword(s):  
Single Molecule ◽  
Fluorescence Spectra ◽  
Arthrospira Platensis ◽  
Phonon Coupling ◽  
Phonon Modes ◽  
Spectroscopy Analysis ◽  
Strong Electron ◽  
Zero Phonon Line ◽  
Electron Phonon Coupling ◽  
Single Molecule Fluorescence Spectroscopy

Based on single molecule spectroscopy analysis and our preliminary theoretical studies, the linear and fluorescence spectra of the PSI trimer from Arthrospira platensis with different realizations of the static disorder were modeled at cryogenic temperature. Considering the previously calculated spectral density of chlorophyll, an exciton model for the PSI monomer and trimer including the red antenna states was developed taking into account the supposed similarity of PSI antenna structures from Thermosynechococcus e., Synechocystis sp. PCC6803, and Arthrospira platensis. The red Chls in the PSI monomer were assumed to be in the nearest proximity of the reaction center. The PSI trimer model allowed the simulation of experimentally measured zero phonon line distribution of the red states considering a weak electron-phonon coupling for the antenna exciton states. However, the broad absorption and fluorescence spectra of an individual emitter at 760 nm were calculated by adjusting the Huang-Rhys factors of the chlorophyll lower phonon modes assuming strong electron-phonon coupling.

Single-Molecule Spectroscopy on a Ladder-Type Conjugated Polymer: Electron-Phonon Coupling and Spectral Diffusion

ChemPhysChem ◽  
2009 ◽  
Vol 10 (14) ◽  
pp. 2524-2534 ◽  
Author(s):  
Richard Hildner ◽  
Laura Winterling ◽  
Ulrich Lemmer ◽  
Ullrich Scherf ◽  
Jürgen Köhler
Keyword(s):  
Single Molecule ◽  
Conjugated Polymer ◽  
Spectral Diffusion ◽  
Single Molecule Spectroscopy ◽  
Phonon Coupling ◽  
Electron Phonon Coupling

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

Observation of Core Phonon in Electron–Phonon Coupling in Au25 Nanoclusters

2021 ◽  
Vol 12 (6) ◽  
pp. 1690-1695
Author(s):  
Zhongyu Liu ◽  
Yingwei Li ◽  
Wonyong Shin ◽  
Rongchao Jin
Keyword(s):  
Phonon Coupling ◽  
Electron Phonon Coupling
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