Dr Martijn Zwijnenburg
Materials and Inorganic Chemistry
Dr Martijn Zwijnenburg
Address: Room G19B Department of Chemistry, UCL
Phone No: +44 (0)20 7679 4558
Fax No: +44 (0)20 7679 7463
- Computational photochemistry.
- Photocatalysis, photoluminescence and other excited state effects.
- Computational structure prediction and energy landscape exploration.
- Porous solids/zeolites.
In my group we use computational methods, for example time-dependent density functional theory, to study what happens in inorganic nanostructures after excitation by light. We try to understand excited-state processes such as photocatalysis and photoluminescence and aim to predict how these are influenced by factors such as the size, shape and composition of a nanostructure. We collaborate closely with experimental groups to complement our theoretical results with experimental verification. As a side-line, we are also interested in structure prediction methods, such as basin-hopping, that allow one to predict the lowest energy geometry for a nanostructure (or periodic solid) given only its composition. We use such methods to generate realistic models of nanostructures, as structural information from experiment is very limited.
- M.A. Zwijnenburg, "Photoluminescence in semiconductor nanoparticles: an atomistic view of excited state relaxation in nanosized ZnS", Nanoscale 4, 3711 (2012).
- M.A. Zwijnenburg and S.T. Bromley, “Structural richness of ionic binary materials: An exploration of the energy landscape of magnesium oxide”, Phys. Rev. B 83, 024104 (2011).
- M.A. Zwijnenburg, F. Illas and S.T. Bromley, “Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids”, Phys. Rev. Lett. 104, 175503 (2010).
- M.A. Zwijnenburg, C. Sousa, A.A. Sokol and S.T. Bromley, “The effect of local environment on photoluminescence: A time-dependent density functional theory study of silanone groups on the surface of silica nanostructures”, J. Chem. Phys. 131, 034705 (2009).
- M.A. Zwijnenburg, F. Cora and R.G. Bell, “Dramatic differences between the energy landscapes of SiO2 and SiS2 zeotype materials”, J. Am. Chem. Soc. 129, 12588 (2007).
- 2000-2004 PhD in Chemical Engineering, Delft University of Technology, Delft, The Netherlands.
- 2005-2007 Marie Curie IntraEuropean Research Fellow at the Royal Institution of Great Britain, London, UK.
- 2008-2010 Juan de la Cierva Research Fellow at the University of Barcelona, Barcelona Spain.
- 2010 EPSRC Career Acceleration Fellow at UCL Chemistry