A A A

Dr Martijn Zwijnenburg - Publications

    2014

    • Butchosa, C., McDonald, T. O., Cooper, A. I., Adams, D. J., Zwijnenburg, M. A. (2014). Shining a Light on s-Triazine-Based Polymers. JOURNAL OF PHYSICAL CHEMISTRY C 118(8), 4314-4324 doi:10.1021/jp411854f. Author URL

    2013

    • Berardo, E., Hu, H. -. S., Kowalski, K., Zwijnenburg, M. A. (2013). Coupled cluster calculations on TiO2 nanoclusters. JOURNAL OF CHEMICAL PHYSICS 139(6), ARTN 064313 doi:10.1063/1.4817536. Author URL
    • Zwijnenburg, M. A. (2013). Excited state localisation cascades in inorganic semiconductor nanoparticles. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15(26), 11119-11127 doi:10.1039/c3cp50800e. Author URL
    • Zwijnenburg, M. A., Cheng, G., McDonald, T. O., Jelfs, K. E., Jiang, J. -. X., Ren, S., Hasell, T., Blanc, F., Cooper, A. I., Adams, D. J. (2013). Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain. MACROMOLECULES 46(19), 7696-7704 doi:10.1021/ma401311s. Author URL

    2012

    • Zwijnenburg, M. A. (2012). Elucidating the Microscopic Origin of the Unique Optical Properties of Polypyrene. JOURNAL OF PHYSICAL CHEMISTRY C 116(38), 20191-20198 doi:10.1021/jp305146p. Author URL
    • Zwijnenburg, M. A. (2012). Photoluminescence in semiconductor nanoparticles: an atomistic view of excited state relaxation in nanosized ZnS. NANOSCALE 4(12), 3711-3717 doi:10.1039/c2nr30191a. Author URL
    • Zwijnenburg, M. A., Bromley, S. T. (2012). Finding low-energy porous polymorphs for compounds traditionally considered dense. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. ( Vol. 244 ). Author URL
    • Zwijnenburg, M. A., Illas, F., Bromley, S. T. (2012). Long range coupling between defect centres in inorganic nanostructures: Valence alternation pairs in nanoscale silica. JOURNAL OF CHEMICAL PHYSICS 137(15), ARTN 154313 doi:10.1063/1.4758461. Author URL

    2011

    • Zwijnenburg, M. A. (2011). Optical excitations in stoichiometric uncapped ZnS nanostructures. NANOSCALE 3(9), 3780-3787 doi:10.1039/c1nr10486a.
    • Zwijnenburg, M. A., Bromley, S. T. (2011). Structural richness of ionic binary materials: An exploration of the energy landscape of magnesium oxide. PHYS REV B 83(2), 024104 doi:10.1103/PhysRevB.83.024104.
    • Zwijnenburg, M. A., Bromley, S. T. (2011). Structure direction in zinc oxide and related materials by cation substitution: an analogy with zeolites. J MATER CHEM 21(39), 15255-15261 doi:10.1039/c1jm12383a.
    • Zwijnenburg, M. A., Illas, F., Bromley, S. T. (2011). The fate of optical excitations in small hydrated ZnS clusters: a theoretical study into the effect of hydration on the excitation and localisation of electrons in Zn4S4 and Zn6S6. PHYS CHEM CHEM PHYS 13(20), 9311-9317 doi:10.1039/c1cp20298g.
    • Zwijnenburg, M. A., Sousa, C., Illas, F., Bromley, S. T. (2011). The fate of optical excitations in small polyhedral ZnS clusters: A theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6. J CHEM PHYS 134(6), 064511 doi:10.1063/1.3536501.

    2010

    • Tribello, G. A., Slater, B., Zwijnenburg, M. A., Bell, R. G. (2010). Isomorphism between ice and silica. PHYS CHEM CHEM PHYS 12(30), 8597-8606 doi:10.1039/b916367k.
    • Zwijnenburg, M. A., Bromley, S. T. (2010). Zeolite synthesis: an energetic perspective. PHYS CHEM CHEM PHYS 12(43), 14579-14584 doi:10.1039/c0cp01045f.
    • Zwijnenburg, M. A., Illas, F., Bromley, S. T. (2010). Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids. PHYS REV LETT 104(17), 175503 doi:10.1103/PhysRevLett.104.175503.
    • Zwijnenburg, M. A., Jelfs, K. E., Bromley, S. T. (2010). An extensive theoretical survey of low-density allotropy in silicon. PHYS CHEM CHEM PHYS 12(30), 8505-8512 doi:10.1039/c004375c.

    2009

    • Zwijnenburg, M. A., Sokol, A. A., Sousa, C., Bromley, S. T. (2009). 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(3), 034705 doi:10.1063/1.3155083.

    2008

    • Zwijnenburg, M. A., Bell, R. G., Corà, F. (2008). Structure, bonding and physical properties of tetragonal and orthorhombic SiS2 from (hybrid) DFT calculations. Journal of Solid State Chemistry 181, 2480-2487 doi:10.1016/j.jssc.2008.06.006.
    • Zwijnenburg, M. A., Bell,, R, G. (2008). Absence of limitations on the framework density and pore size of high-silica zeolites. Chemistry of Materials 20, 3008- doi:10.1021/cm702175q.
    • Zwijnenburg, M. A., Corà, F., Bell, R. G. (2008). Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: Energy landscape of crystalline BeF2, BeCl2, SiO2, and SiS2. Journal of the American Chemical Society 130, 11082-11087 doi:10.1021/ja8026967. Author URL
    • Zwijnenburg, M. A., Cora, F., Bell, R. G. (2008). Going beyond SiO2 and AlPO4: Stabilisation of "strained" hypothetical frameworks in exotic compositions. ZEOLITES AND RELATED MATERIALS: TRENDS, TARGETS AND CHALLENGES, PROCEEDINGS OF THE 4TH INTERNATIONAL FEZA CONFERENCE. ( Vol. 174 pp.695-700). ELSEVIER SCIENCE BV.
    • Zwijnenburg, M. A., Sousa, C., Sokol, A. A., Bromley, S. T. (2008). Optical excitations of defects in realistic nanoscale silica clusters: Comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods. J Chem Phys 129(1), 014706- doi:10.1063/1.2943147. Author URL

    2007

    • Massuger, L., Baerlocher, C., McCusker, L. B., Zwijnenburg, M. A. (2007). Synthesis and structure analysis of the layer silicate DLM-2. MICROPOR MESOPOR MAT 105(1-2), 75-81 doi:10.1016/j.micromeso.2007.05.021.
    • Zwijnenburg, M. A., Cora, F., Bell, R. G. (2007). Dramatic differences between the energy landscapes of SiO2 and SiS2 zeotype materials. Journal of the American Chemical Society 129, 12588-12589 doi:10.1021/ja0727666.
    • Zwijnenburg, M. A., Cora, F., Bell, R. G. (2007). Observation of the effect of chemical composition on framework-type preference. FROM ZEOLITES TO POROUS MOF MATERIALS: THE 40TH ANNIVERSARY OF INTERNATIONAL ZEOLITE CONFERENCE, PROCEEDINGS OF THE 15TH INTERNATIONAL ZEOLITE CONFERENCE. ( Vol. 170 pp.1705-1711). ELSEVIER SCIENCE BV.
    • Zwijnenburg, M. A., Cora, F., Bell, R. G. (2007). On the performance of DFT and interatomic potentials in predicting the energetics of (three-membered ring-containing) siliceous materials. The Journal of Physical Chemistry B 111, 6156- doi:10.1021/jp071060v.

    2006

    • van den Berg, A. W. C., Zwijnenburg, M. A., Bromley, S. T., Flikkema, E., Bell, R. G., Jansen, J. C., Schoonman, L. (2006). Comparing the influence of framework type on H-2 absorption in hypothetical and existing clathrasils: a grand canonical Monte Carlo study. Journal of Materials Chemistry 16, 3285- doi:10.1039/b604377a.
    • Wojdel, J. C., Zwijnenburg, M. A., Bromley, S. T. (2006). Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials. CHEM MATER 18(6), 1464-1469 doi:10.1021/cm052290u.
    • Zwijnenburg, M. A., Huenerbein, R., Bell, R. G., Cora, F. (2006). A computational study into the (tetrahedral) distortion of TX2 alpha-quartz materials: The effect of changing the chemical composition away from SiO2. Journal of Solid State Chemistry 179, 3429-3436 doi:10.1016/j.jssc.2006.07.011.

    2005

    • Zwijnenburg, M. A., Simperler, A., Wells, S. A., Bell, R. G. (2005). Tetrahedral distortion and energetic packing penalty in "zeolite" frameworks: Linked phenomena? The Journal of Physical Chemistry B 109, 14783-14785 doi:10.1021/jp0531309. Author URL

    2004

    • Bromley, S. T., Zwijnenburg, M. A., Flikkema, E., Maschmeyer, T. (2004). Comment on "Fully coordinated silica nanoclusters: (SiO2)(N) molecular rings" - Reply. PHYS REV LETT 92(3), 039602 doi:10.1103/PhysRevLett.92.039602.
    • van de Water, L. G. A., Zwijnenburg, M. A., Sloof, W. G., van der Waal, J. C., Jansen, J. C., Maschmeyer, T. (2004). The effect of Ge incorporation on the Bronsted acidity of ZSM-5. CHEMPHYSCHEM 5(9), 1328-1335 doi:10.1002/cphc.200301037.
    • Zwijnenburg, M. A., Bromley, S. T., Flikkema, E., Maschmeyer, T. (2004). Prospects for a synthetic route towards well-defined stoichiometric silica nanoclusters: from siloxane to silica. CHEM PHYS LETT 385(5-6), 389-393 doi:10.1016/j.cplett.2003.12.106.
    • Zwijnenburg, M. A., Bromley, S. T., Foster, M. D., Bell, R. G., Delgado Friedrichs, O., Jansen, J. C., Maschmeyer, T. (2004). Toward understanding the thermodynamic viability of zeolites and related frameworks through a simple topological model. Chemistry of Materials 16, 3809- doi:10.1021/cm049256k.
    • Zwijnenburg, M. A., Bromley, S. T., Jansen, J. C., Maschmeyer, T. (2004). Computational insights into the role of Ge in stabilising double-four ring containing zeolites. MICROPOR MESOPOR MAT 73(3), 171-174 doi:10.1016/j.micromeso.2004.05.006.
    • Zwijnenburg, M. A., Bromley, S. T., Jansen, J. C., Maschmeyer, T. (2004). Toward understanding extra-large-pore zeolite energetics and topology: A polyhedral approach. CHEM MATER 16(1), 12-20 doi:10.1021/cm034132d.
    • Zwijnenburg, M. A., Bromley, S. T., Jansen, J. C., Maschmeyer, T. (2004). Towards understanding the energetics and topology of zeolites: A polyhedral approach. RECENT ADVANCES IN THE SCIENCE AND TECHNOLOGY OF ZEOLITES AND RELATED MATERIALS, PTS A - C. ( Vol. 154 pp.301-307). ELSEVIER SCIENCE BV.

    2003

    • Bromley, S. T., Zwijnenburg, M. A., Maschmeyer, T. (2003). Fully coordinated silica nanoclusters: (SiO2)(N) molecular rings. PHYS REV LETT 90(3), 035502 doi:10.1103/PhysRevLett.90.035502.
    • Bromley, S. T., Zwijnenburg, M. A., Maschmeyer, T. (2003). Two-ring vibrational modes on silica surfaces investigated via fully coordinated nanoclusters. SURF SCI 539(1-3), L554-L559 doi:10.1016/S0039-6028(03)00813-6.

    2002

    • Zwijnenburg, M. A., Bromley, S. T., van Alsenoy, C., Maschmeyer, T. (2002). Factors affecting ionicity in all-silica materials: A density functional cluster study. J PHYS CHEM A 106(51), 12376-12385 doi:10.1021/jp025696s.