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Zbiri, Mohamed (author), Haverkate, L.A. (author), Kearley, Gordon J. (author), Johnson, Mark R. (author), Mulder, F.M. (author)Organic conducting materials exhibit promising functionalities, inducing hence a keen interest due to their potential use as a next generation photoconverters. However, unlike the more expensive inorganic analogues, the underlying properties that give rise to these advantages also cause organic materials to be inherently inefficient as...journal article 2016
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Haverkate, L.A. (author), Zbiri, M. (author), Johnson, M.R. (author), Carter, E. (author), Kotlewski, A. (author), Picken, S.J. (author), Mulder, F.M. (author), Kearley, G.J. (author)Discotic liquid crystalline (DLC) charge transfer (CT) complexes combine visible light absorption and rapid charge transfer characteristics, being favorable properties for photovoltaic (PV) applications. We present a detailed study of the electronic and vibrational properties of the prototypic 1:1 mixture of discotic 2,3,6,7,10,11...journal article 2014
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Kruglova, O. (author), Mulder, F.M. (author), Kearley, G.J. (author), Picken, S.J. (author), Stride, J.A. (author), Paraschiv, I. (author), Zuilhof, H. (author)The dynamics of the discotic liquid-crystalline system, hexakis (n-hexyloxy) triphenylene (HAT6), is considered in the frame of the phenomenological model for rate processes proposed by Berlin. It describes the evolution of the system in the presence of the long-time scale correlations in the system, and we compare this with experimental...journal article 2010
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Zbiri, M. (author), Johnson, M.R. (author), Kearley, G.J. (author), Mulder, F.M. (author)We investigate the effect of structural fluctuations on charge transfer integrals, overlap integrals, and site energies in a system of two stacked molecular 2,3,6,7,10,11-hexakishexyloxytriphenylene (HAT6), which is a model system for conducting devices in organic photocell applications. A density functional based computational study is reported...journal article 2009