Single-molecule electronics: from chemical design to functional devices

L Sun, YA Diaz-Fernandez, TA Gschneidtner… - Chemical Society …, 2014 - pubs.rsc.org
The use of single molecules in electronics represents the next limit of miniaturisation of
electronic devices, which would enable us to continue the trend of aggressive downscaling …

Basic concepts of quantum interference and electron transport in single-molecule electronics

CJ Lambert - Chemical Society Reviews, 2015 - pubs.rsc.org
This tutorial outlines the basic theoretical concepts and tools which underpin the
fundamentals of phase-coherent electron transport through single molecules. The key …

Observation of quantum interference in molecular charge transport

CM Guédon, H Valkenier, T Markussen… - Nature …, 2012 - nature.com
As the dimensions of a conductor approach the nanoscale, quantum effects begin to
dominate, and it becomes possible to control the conductance through direct manipulation of …

Antioxidant Activity of trans-Resveratrol toward Hydroxyl and Hydroperoxyl Radicals: A Quantum Chemical and Computational Kinetics Study

C Iuga, JR Alvarez-Idaboy, N Russo - The Journal of organic …, 2012 - ACS Publications
In this work, we have carried out a systematic study of the antioxidant activity of trans-
resveratrol toward hydroxyl (• OH) and hydroperoxyl (• OOH) radicals in aqueous simulated …

Realignment of local and charge-transfer excited states in promoting room-temperature phosphorescence of organic aggregates

J Fang, P Li, X Xue, H Li, D Cui, J Zhang… - Chemistry of …, 2023 - ACS Publications
Aggregation significantly affects the organic room-temperature phosphorescence (RTP),
especially in molecules with donor (D)–acceptor (A) architectures but is yet to be rationally …

Bridge-mediated charge separation in isomeric N-annulated perylene diimide dimers

Y Guo, Z Ma, X Niu, W Zhang, M Tao… - Journal of the …, 2019 - ACS Publications
The possibility and rate of charge separation (CS) in donor–bridge–acceptor molecules
mainly depend on two factors: electronic coupling and solvent effects. The question of how …

Evidence for quantum interference in SAMs of arylethynylene thiolates in tunneling junctions with eutectic Ga–In (EGaIn) top-contacts

D Fracasso, H Valkenier, JC Hummelen… - Journal of the …, 2011 - ACS Publications
This paper compares the current density (J) versus applied bias (V) of self-assembled
monolayers (SAMs) of three different ethynylthiophenol-functionalized anthracene …

Cross-conjugation and quantum interference: a general correlation?

H Valkenier, CM Guédon, T Markussen… - Physical Chemistry …, 2014 - pubs.rsc.org
We discuss the relationship between the π-conjugation pattern, molecular length, and
charge transport properties of molecular wires, both from an experimental and a theoretical …

Challenges and opportunities in the development of conjugated block copolymers for photovoltaics

Y Lee, ED Gomez - Macromolecules, 2015 - ACS Publications
Fully conjugated block copolymers that covalently link donor and acceptor units within the
molecular structure have the potential to simultaneously control the mesoscale assembly …

Magic ratios for connectivity-driven electrical conductance of graphene-like molecules

Y Geng, S Sangtarash, C Huang… - Journal of the …, 2015 - ACS Publications
Experiments using a mechanically controlled break junction and calculations based on
density functional theory demonstrate a new magic ratio rule (MRR) that captures the …