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

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Showing cond-mat.mes-hallShow all

11 papers · 1 filter

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…

cond-mat.mes-hall2016★ 162 cited

Molecular design and control of fullerene-based bi-thermoelectric materials

Laura Rincón-García, Ali K. Ismael, Charalambos Evangeli +5

Molecular junctions are a versatile test bed for investigating thermoelectricity on the nanoscale1-10 and contribute to the design of new cost-effective environmentally-friendly or…

cond-mat.mes-hall2015★ 29 cited

Thermopower of crown-ether-bridged anthraquinones

A. K. Ismael, I. Grace, C. J. Lambert

We investigate strategies for increasing the thermopower of crown-ether-bridged anthraquinones. The novel design feature of these molecules is the presence of either (1) crown-ethe…