Johnston, Karen - University of Strathclyde - Department of Chemical & Process Engineering

个人简介

I joined the Department of Chemical and Process Engineering as a Lecturer in August 2013.

研究领域

HYBRID MATERIALS: Hard-Soft Matter Interfaces Organic-inorganic composites are widely used in industry due to their strength, flexibility and light weight. Although generic properties of polymers at surfaces are well understood the interaction between specific materials is not. The main challenge in simulating polymer-solid interfaces is the different length and time scales involved. This research bridges the gap between the micro- and mesoscale properties using a hierarchical multiscale approach. Density functional theory (DFT) calculations are used to obtain the detailed quantum interactions at the interface and this information is used to build surface potentials for atomistic and coarse-grained (CG) molecular dynamics simulations.

近期论文

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Interplay between vacuum-grown monolayers of alkyl phosphonic acids and the performance of organic transistors based on dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiopheneHannah Stuart, Cardona Javier, Lamprou Dimitrios A., Sutta Pavol , Baran Peter, Al Ruzaiqi Afra, Johnston Karen, Gleskova HelenaACS Applied Materials and Interfaces Vol 8, pp. 25405-25414, (2016)http://dx.doi.org/10.1021/acsami.6b08426 A van der Waals density functional theory study of poly(vinylidene difluoride) crystalline phasesPelizza F., Smith B., Johnston K.European Physical Journal: Special Topics, (2016)http://dx.doi.org/10.1140/epjst/e2016-60133-8 Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states : a lattice-model viewFortuna Sara, Cheung David, Johnston KarenJournal of Chemical Physics Vol 144, (2016)http://dx.doi.org/10.1063/1.4944936 Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theoryJohnston Karen, Pekoz Rengin, Donadio DavideSurface Science Vol 644, pp. 113-121, (2016)http://dx.doi.org/10.1016/j.susc.2015.09.017 Tuning the adsorption of aromatic molecules on platinum via halogenationPekoz Rengin, Johnston Karen, Donadio DavideJournal of Physical Chemistry C Vol 118, pp. 6235–6241, (2014)http://dx.doi.org/ 10.1021/jp411422x A van der Waals density functional study of the adsorption of ethanol on the α-alumina (0001) surfaceJohnston KarenSurface Science Vol 621, pp. 16-22, (2014)http://dx.doi.org/10.1016/j.susc.2013.09.030