Our main interest is in the relationship between the structure and properties of solids. We study the geometric reasons for the chemical activity of solids and the relationship between local order and physical properties, using mathematical techniques and computer graphics. We use solid-state nuclear magnetic resonance spectroscopy (NMR) to examine molecular sieves, minerals, layered materials, fullerenes, ceramics and biological materials.

The G minimal surface divides space into two interpenetrating labyrinths (coloured red and green).

Specific projects:

  • Periodic minimal surfaces (surfaces with zero mean curvature), which appear in a variety of inorganic, organic and biological structures, and the associated mathematical problems.
  • Morphogenesis (the origin of shape and form).
  • Systematic enumeration of crystalline networks using mathematical tiling theory.
  • Graphite, graphite oxide and graphene.
  • Synthesis and characterization of microporous and mesoporous molecular sieves.
  • Synthesis and characterization of metal-organic frameworks (MOFs).

Selected Publications

Hypothetical zeolitic frameworks: In search of potential heterogeneous catalysts. J. Phys. Chem. 112, 1040 (2008)

Low-temperature thermal decomposition of large single crystals of ammonium perchlorate. Chem. Phys. Lett. 454, 233 (2008)

Simulating self-assembly of ZnS nanoparticles into mesoporous materials. J. Am. Chem. Soc. 128, 15283 (2006)

Cross-polarization in the solid state. A guide for chemists. Chem. Rev. 102, 613 (2002)

Synthesis and characterization of a new layered compound of trimesic acid. New Journal of Chemistry 26, 381 (2002)

Exact computation of the triply periodic G ('gyroid") minimal surface. Chem. Phys. Lett. 321, 363 (2000)

Systematic enumeration of crystalline networks. Nature 400, 644 (1999)

Structural studies of tabasheer, an opal of plant origin. Phil. Mag. A 77, 201 (1998)

Structure of graphite oxide revisited. J. Phys. Chem. B102, 4477 (1998)

Solid-state NMR studies of fullerene C60/benzene solvates. J. Phys. Chem. B101, 117 (1997)

New rapidly convergent series representations for z (2 n + 1). Proc. Am. Math. Soc. 125, 1263 (1997)

Directing the pore dimensions in the mesoporous molecular sieve MCM-41. Chem. Phys. Lett. 263, 247 (1996)

Taboo Search: an approach to the multiple-minima problem. Science, 267, 664 (1995)

Publications

XE-129 NMR AS A PROBE FOR THE STUDY OF MICROPOROUS SOLIDS - A CRITICAL-REVIEW
PJ Barrie, J Klinowski
Progress in Nuclear Magnetic Resonance Spectroscopy
(1992)
24
27Al quadrupole nutation and 1H27Al cross-polarization solid-state NMR studies of ultrastable zeolite Y with fast magic-angle spinning
J Rocha, SW Carr, J Klinowski
Chemical Physics Letters
(1991)
187
Neutron diffraction studies of realuminated zeolite Y
PJ Barrie, LF Gladden, J Klinowski
Journal of the Chemical Society Chemical Communications
(1991)
Probing the dynamics of methylated benzenes adsorbed on zeolite ZSM-5 by quasielastic neutron scattering
JH Williams, GJ Kearley, SA Axon, J Klinowski
Chemical Communications
(1991)
2-DIMENSIONAL J-SCALED SI-29 NMR COSY OF HIGHLY SILICEOUS MORDENITE
W Kolodziejski, PJ Barrie, H He, J Klinowski
Journal of the Chemical Society, Chemical Communications
(1991)
Synthesis of zeolite Na-A from metakaolinite revisited
J Rocha, J Klinowski, JM Adams
Journal of the Chemical Society Faraday Transactions
(1991)
87
The rehydration of metakaolinite to kaolinite
J Rocha, J Klinowski
Chemical Communications
(1991)
High resolution solid-state 1H nuclear magnetic resonance spectra of organic template in hydrated aluminophosphate VPI-5
W Kolodziejski, JO Rocha, H He, J Klinowski
Applied Catalysis
(1991)
77
SOLID-STATE AL-27 NMR-STUDIES OF ALPO4-8
J Rocha, X Liu, J Klinowski
Chemical Physics Letters
(1991)
182
Solid-state NMR elucidation of the role of mineralizers in the thermal stability and phase transformations of kaolinite
J Rocha, J Klinowski, JM Adams
Journal of Materials Science
(1991)
26

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