Iain Grace
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View article: Electronic Conductance and Thermopower of Cross-Conjugated and Skipped-Conjugated Molecules in Single-Molecule Junctions
Electronic Conductance and Thermopower of Cross-Conjugated and Skipped-Conjugated Molecules in Single-Molecule Junctions Open
We report a combined experimental and theoretical study of a series of thiomethyl (SMe) anchored cross-conjugated molecules featuring an acyclic central bridging ketone and their analogous skipped-conjugated alcohol derivatives. Studies of…
View article: Quantum Interference Enhances the Performance of Single-Molecule Transistors
Quantum Interference Enhances the Performance of Single-Molecule Transistors Open
An unresolved challenge facing electronics at a few-nm scale is that resistive channels start leaking due to quantum tunneling. This affects the performance of nanoscale transistors, with single-molecule devices displaying particularly low…
View article: CCDC 2141972: Experimental Crystal Structure Determination
CCDC 2141972: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Assembly, structure and thermoelectric properties of 1,1′-dialkynylferrocene ‘hinges’
Assembly, structure and thermoelectric properties of 1,1′-dialkynylferrocene ‘hinges’ Open
Dialkynylferrocenes are interesting candidates for molecular electronics. Herein, numerous experiments are applied to probe their properties both as single-molecules and in monolayers, demonstrating unique geometric and thermoelectric prop…
View article: Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions
Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions Open
Interactions between electrodes and pendant groups in cross-conjugated systems destroy destructive quantum interference resulting in an increase of G and a decrease of S .
View article: Correction: Molecular-scale thermoelectricity: as simple as ‘ABC’
Correction: Molecular-scale thermoelectricity: as simple as ‘ABC’ Open
Correction for ‘Molecular-scale thermoelectricity: as simple as ‘ABC’’ by Ali Ismael et al., Nanoscale Adv., 2020, 2, 5329–5334, DOI: 10.1039/D0NA00772B.
View article: Scale-Up of Room-Temperature Constructive Quantum Interference from Single Molecules to Self-Assembled Molecular-Electronic Films
Scale-Up of Room-Temperature Constructive Quantum Interference from Single Molecules to Self-Assembled Molecular-Electronic Films Open
The realization of self-assembled molecular-electronic films, whose room-temperature transport properties are controlled by quantum interference (QI), is an essential step in the scale-up of QI effects from single molecules to parallel arr…
View article: Molecular-scale thermoelectricity: as simple as ‘ABC’
Molecular-scale thermoelectricity: as simple as ‘ABC’ Open
If the Seebeck coefficient of single molecules or self-assembled monolayers could be predicted from measurements of their conductance–voltage (G–V) characteristics alone, then the difficult experimental task of measuring their thermoelectr…
View article: Connectivity dependent thermopower of bridged biphenyl molecules in single-molecule junctions
Connectivity dependent thermopower of bridged biphenyl molecules in single-molecule junctions Open
We report measurements on gold|single-molecule|gold junctions, using a modified scanning tunneling microscope-break junction (STM-BJ) technique, of the Seebeck coefficient and electrical conductance of a series of bridged biphenyl molecule…
View article: Scale-up of room-temperature constructive quantum interference from single molecules to self-assembled molecular-electronic films
Scale-up of room-temperature constructive quantum interference from single molecules to self-assembled molecular-electronic films Open
The realization of self-assembled molecular-electronic films, whose room-temperature transport properties are controlled by quantum interference (QI), is an essential step in the scale-up QI effects from single molecules to parallel arrays…
View article: Synthetic Control of Quantum Interference by Regulating Charge on a Single Atom in Heteroaromatic Molecular Junctions
Synthetic Control of Quantum Interference by Regulating Charge on a Single Atom in Heteroaromatic Molecular Junctions Open
A key area of activity in contemporary molecular electronics is the chemical control of conductance of molecular junctions and devices. Here we study and modify a range of pyrrolodipyridines (carbazole-like) molecular wires. We are able to…
View article: Controlling Quantum Interference by Regulating Charge on the Bridging N Atom of Pyrrolodipyridine Molecular Junctions
Controlling Quantum Interference by Regulating Charge on the Bridging N Atom of Pyrrolodipyridine Molecular Junctions Open
Control of quantum interference features : molecular junctions incorporating pyrrolodipyridine-based molecular wires were fabricated by scanning probe methods. Quantum interference effects were introduced by employing meta -connected molec…
View article: Controlling Quantum Interference by Regulating Charge on the Bridging N Atom of Pyrrolodipyridine Molecular Junctions
Controlling Quantum Interference by Regulating Charge on the Bridging N Atom of Pyrrolodipyridine Molecular Junctions Open
Control of quantum interference features: molecular junctions incorporating pyrrolodipyridine-based molecular wires were fabricated by scanning probe methods. Quantum interference effects were introduced by employing meta-connected molecul…
View article: Cross-conjugation increases the conductance of <i>meta</i>-connected fluorenones
Cross-conjugation increases the conductance of <i>meta</i>-connected fluorenones Open
In meta-connected fluorenones, the carbonyl group almost negates the effects of destructive quantum interference, compared with corresponding meta-connected fluorenes.
View article: Charge transfer complexation boosts molecular conductance through Fermi level pinning
Charge transfer complexation boosts molecular conductance through Fermi level pinning Open
Efficient charge transport across long molecular wires enabled by charge-transfer complexation, through Fermi level pinning of interference features.
View article: Quantum interference mediated vertical molecular tunneling transistors
Quantum interference mediated vertical molecular tunneling transistors Open
We report graphene/self-assembly monolayer vertical molecular transistors operating in the quantum tunneling regime.
View article: Charge Transfer Complexation Boosts Molecular Conductance Through Fermi Level Pinning
Charge Transfer Complexation Boosts Molecular Conductance Through Fermi Level Pinning Open
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 comple…
View article: Charge Transfer Complexation Boosts Molecular Conductance Through Fermi Level Pinning
Charge Transfer Complexation Boosts Molecular Conductance Through Fermi Level Pinning Open
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 comple…
View article: Bias-Driven Conductance Increase with Length in Porphyrin Tapes
Bias-Driven Conductance Increase with Length in Porphyrin Tapes Open
A key goal in molecular electronics has been to find molecules that facilitate efficient charge transport over long distances. Normally, molecular wires become less conductive with increasing length. Here, we report a series of fused porph…
View article: Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl
Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl Open
Electrical conductance across a molecular junction is strongly determined by the anchoring group of the molecule. Here we highlight the unusual behavior of 1,4-bis(1H-pyrazol-4-ylethynyl)benzene that exhibits unconventional junction curren…
View article: Cross-plane conductance through a graphene/molecular monolayer/Au sandwich
Cross-plane conductance through a graphene/molecular monolayer/Au sandwich Open
Experimental scalability of junction properties, in combination with theoretical transmission probability, demonstrates a significantly enhanced molecular connection.
View article: Correction: Connectivity dependence of Fano resonances in single molecules
Correction: Connectivity dependence of Fano resonances in single molecules Open
Correction for ‘Connectivity dependence of Fano resonances in single molecules’ by Ali K. Ismael et al., Phys. Chem. Chem. Phys., 2017, 19, 6416–6421.
View article: CCDC 1578499: Experimental Crystal Structure Determination
CCDC 1578499: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Oscillating Seebeck coefficients in π-stacked molecular junctions
Oscillating Seebeck coefficients in π-stacked molecular junctions Open
When two adjacent molecules are slid across each other, quantum interference causes oscillations in their conductance and Seebeck coefficient.
View article: Gateway state-mediated, long-range tunnelling in molecular wires
Gateway state-mediated, long-range tunnelling in molecular wires Open
Gateway states in Au/single-molecule/Au junctions profoundly attenuate the conductance decay with length for thiol-contacted alkyl-aromatic-alkyl systems.