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

Novel phosphovanadate layered structure assembled from a tetrametallic cubane-like Vv cluster
F Shi, FAA Paz, J Rocha, J Klinowski, T Trindade
European Journal of Inorganic Chemistry
(2004)
2004
Chemical evaluation of hypothetical uninodal zeolites.
MD Foster, O Delgado Friedrichs, RG Bell, FA Almeida Paz, J Klinowski
Journal of the American Chemical Society
(2004)
126
Novel luminescent materials based on silica doped with an europium(III) complex of 2,6-dihydroxybenzoic acidThe crystal structure of [nBu4N]2[Eu(2,6-Hdhb)5(H2O)2]
PCR Soares-Santos, HIS Nogueira, FAA Paz, RAS Ferreira, LD Carlos, J Klinowski, T Trindade
Journal of Alloys and Compounds
(2004)
374
Synthesis and characterisation of the first three-dimensional mixed-metal-center inorganic-organic hybrid framework with n-(phosphonomethyl) iminodiacetate
FAA Paz, F Shi, J Klinowski, J Rocha, T Trindade
European Journal of Inorganic Chemistry
(2004)
2004
Synthesis and characterization of a novel cadmium-organic framework with trimesic acid and 1,2-bis(4-pyridyl)ethane.
FA Almeida Paz, J Klinowski
Inorganic Chemistry
(2004)
43
Two- and three-dimensional cadmium-organic frameworks with trimesic acid and 4,4'-trimethylenedipyridine.
FA Almeida Paz, J Klinowski
Inorganic chemistry
(2004)
43
Chemically feasible hypothetical crystalline networks
MD Foster, A Simperler, RG Bell, OD Friedrichs, FAA Paz, J Klinowski
Nature Materials
(2004)
3
Novel ruthenium(II) diamine complexes
MD Jones, FAA Paz, JE Davies, R Raja, J Klinowski, BFG Johnson
Inorganica Chimica Acta
(2004)
357
Synthesis, characterization and crystal structure of a novel europium(III) supramolecular compound: {[Eu(CH3OH)6(H2O) 2] [PMo12O40]}· (C14H 20O5)2·(CH3OH) 2·(CH3CN)2
FL Sousa, FAA Paz, PCR Soares-Santos, AMV Cavaleiro, HIS Nogueira, J Klinowski, T Trindade
Journal of Molecular Structure
(2004)
689
Lanthanide compounds containing a benzo-15-crown-5 derivatised [60]fullerene and the related [Tb(H2O)(3)(NO3)(2)(acac)]. C14H20O5 supramolecular adduct
PCR Soares-Santos, T Trindade, AC Tomé, J Rocha, RAS Ferreira, LD Carlos, FAA Paz, J Klinowski, HIS Nogueira
New J. Chem.
(2004)
28

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