Modularized tuning of charge transport through highly twisted and localized single-molecule junctions
… the changes of the central ring single-molecule junctions. … make a remarkable change at
the transport channel near the … of charge transport in the delocalized single-molecule junction. …
the transport channel near the … of charge transport in the delocalized single-molecule junction. …
Stereoelectronic Modulation of a Single-Molecule Junction through a Tunable Metal–Carbon dπ–pπ Hyperconjugation
… delocalized distribution along the sulfur-to-sulfur pathway (… there is a unique change of
resonance structures between A … in A: (i) a path with seven bonds (“S” shape) in the metallacycles …
resonance structures between A … in A: (i) a path with seven bonds (“S” shape) in the metallacycles …
[PDF][PDF] Electric-field-induced connectivity switching in single-molecule junctions
… to a longer transmission pathway with low conductance, … and chemical shifts are reported in
ppm using residual deuterated … While the LUMO of M1 shows a delocalized pattern, the non-…
ppm using residual deuterated … While the LUMO of M1 shows a delocalized pattern, the non-…
Solvent-molecule interaction induced gating of charge transport through single-molecule junctions
… , their transmission functions were observed to barely change over a large energy range
near the DFT-predicted Fermi energy. Similar shifting trends in the transmission function of the …
near the DFT-predicted Fermi energy. Similar shifting trends in the transmission function of the …
… Supramolecular Chemistry: Multifunctional and Multiresponsive Dicopper (II) Metallacyclophanes as Proof-of-Concept for Single-Molecule Spintronics and Quantum …
… a renaissance of dinuclear metallacyclic systems as new … due to the delocalization of the
added electron through the C 4 … , such as wires and switches, for information processing and …
added electron through the C 4 … , such as wires and switches, for information processing and …
Evolution of Single-Molecule Electronic Interfaces
… (68) Further studies show that the degree of charge delocalization … charge transport
characteristics caused by the change of the dominant conducting orbital as the gate voltage changed …
characteristics caused by the change of the dominant conducting orbital as the gate voltage changed …
From Studies of the Electronic Structures of Molecules to Molecular Electronics
PJ Low - 2019 - digital.library.adelaide.edu.au
… single molecule and monolayer film molecular junctions. Metal complexes of general
form trans-[M(C≡CR)Ln] and [M(terpy)2] have been studied in single molecule … in single-molecule …
form trans-[M(C≡CR)Ln] and [M(terpy)2] have been studied in single molecule … in single-molecule …
Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design
LJ O'Driscoll, S Sangtarash, W Xu… - The Journal of …, 2021 - ACS Publications
… to investigate the single-molecule conductance properties of four … the conductance pathway
increases the effect of changing the … represent different delocalization pathways indicated by …
increases the effect of changing the … represent different delocalization pathways indicated by …
Luminescent N-Heterocyclic Carbene Platinum (II) Alkyne Frameworks: Small Molecules, Excimers and Polymers
D Suter - 2020 - zora.uzh.ch
… plicity change (spin flip) needs to occur from T1 to S0 via a … -radiative relaxation pathways
can occur through eg geometrical … Using excimers, thus single molecule emissive layers, this …
can occur through eg geometrical … Using excimers, thus single molecule emissive layers, this …
Qualitative quantum chemical description of the structure-color relationships in phosphorescent organometallic complexes
P Saris - 2019 - search.proquest.com
… angle of a 5-membered metallacycle fused to a 5-membered … states) and broadening (being
delocalized over all of the ligands… Furthermore, single molecule (gas phase) calculations are …
delocalized over all of the ligands… Furthermore, single molecule (gas phase) calculations are …