activity
20062023
most citedGOLLUM: a next-generation simulation tool for electron, thermal and spin transport

374 citations · 784 across the 14 of their papers we have counts for

collaborators

14 papers

physics.chem-ph2023★ 1 cited

Quantum Interference Enhances the Performance of Single-Molecule Transistors

Zhixin Chen, Iain M. Grace, Steffen L. Woltering +9

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 transistor…

physics.app-ph2020★ 22 cited

Electrical molecular switch addressed by chemical stimuli

H. Audi, Y. Viero, N. Alwhaibi +12

We demonstrate that the conductance switching of benzo-bis(imidazole) molecules upon protonation depends on the lateral functional groups. The protonated H-substituted molecule sho…

cond-mat.mes-hall2019

Scale-up of room-temperature constructive quantum interference from single molecules to self-assembled molecular-electronic films

Xintai Wang, Troy L. R. Bennett, Ali Ismael +9

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 s…

cond-mat.mes-hall2017★ 1 cited

Gateway state-mediated, long-range tunnelling in molecular wires

Sara Sangtarash, Andrea Vezzoli, Hatef Sadeghi +7

If the factors controlling the decay in single-molecule electrical conductance G with molecular length L could be understood and controlled, then this would be a significant step f…

cond-mat.mes-hall2017

Connectivity dependence of Fano resonances in single molecules

Ali K. Ismael Iain Grace, Colin J. Lambert

Using a first principles approach combined with analysis of heuristic tight-binding models, we examine the connectivity dependence of two forms of quantum interference in single mo…

cond-mat.mes-hall2016

Gating of single molecule junction conductance by charge transfer complex formation

Andrea Vezzoli, Iain Grace, Carly Brooke +5

The solid-state structures of organic charge transfer (CT) salts are critical in determining their mode of charge transport, and hence their unusual electrical properties, which ra…