Kate Wright: Publications
Sperink S., Becker T., Wright K., and Richmond W.R. (2009) Synthesis and characterization of lamellar ZnS nanosheets containing intercolated diamines. J. Incl. Phenom. Macrocycl. Chem. 65:89-95
Wright K. Mechanisms of cadmium, manganese and ferrous iron uptake by sphalerite (ZnS). Canadian Mineralogist 47 (3): 615-623
Murphey P.J., Smith A.L., Hudson-Edwards K.A., Dubbin W.E. and Wright K. Raman and IR spectroscopic studies of Al(III), Cr(III), Fe(III) and V(III) analogues of alunite- and jarosite-type compounds. Canadian Mineralogist 47 (3): 663-681
Walker A.M., Woodley S.M., Slater B. and Wright K. (2009) A computational study of magnesium point defects and diffusion in forsterite. Earth Plan. Sci. Letts. 172:20-27
Bejina F., Blanchard M., Wright K. and Price G.D. (2009) A computer simulation study of the effect of pressure on Mg diffusion in forsterite. Earth Plan. Sci. Letts. 172:13-19
Blanchard M., Balan E., and Wright K. (2009) Incorporation of water in iron-free ringwoodite: a first principles study. American Mineralogist. 94:83-89
Balan E., Refson K., Blanchard M., Delattre S., Lazzeri M., Ingrin J., Mauri F., Wright K. and Winkler B. (2008) Theoretical infrared absorption of OH groups in minerals. American Mineral. 93: 950-953
Hudson-Edwards K., Smith A.M.L., Dubbin W.E., Bennett A.J., Murphey P.J. and Wright K. (2008) Comparison of the structures of natural and synthetic Pb-Cu-jarosite-type compounds. Eu. J. Mineral. 20:241-252.
Wright K., Hudson-Edwards K.A., Smith A.M.L. and Dubbin W.E. (2008) Computer simulation studies of toxic element incorporation in jarosite. Proc. 9th International Congress for Applied Mineralogy (ICAM) pp369-373, ISBN 978 1 920806 86 6
Blanchard M., Alfredsson M., Brodholt J., Wright K., and Catlow C.R.A. (2007) Arsenic incorporation into FeS2 pyrite and its influence on dissolution. Geochim. Cosmochim. Acta 71:624-630
Blanchard M., Wright K., Gale J.D., and Catlow C.R.A. (2007) Adsorption of As(OH)3 on the (001) surface of FeS2 Pyrite: A quantum mechanical study. J. Phys. Chem. C. 111:11390-11396
Southam D.C., Brent G.F., Felipe F., Carr C., Hart R.D., and Wright K. (2007) Towards more sustainable minefills – Replacement of ordinary Portland cement with geopolymer cements. In: World Gold 2007, Publications of the Australasian Institute of Mining and Metallurgy (2007), World Gold 2007, Cairns, pp 157-164.
Gatzemeier, A. and Wright, K. (2006) Computer modeling of hydrogen defects in the clinopyroxenes diopside and jadite. Phys. Chem. Minerals. 33:115-125
Smith, A.L., Dubbin, W.E., Wright, K. and Hudson-Edwards, K. A., (2006) Dissolution of plumbojarosite [Pb0.5Fe3(SO4)2(OH)6] and beudantite [PbFe3(SO4)(AsO4)(OH)6] at pH2 and 8: Insights from batch experiments. Chemical Geology 229:344-361
Smith, A.L., Hudson-Edwards, K. A., Dubbin, W.L. and Wright K. (2006) Defects and impurities in jarosite: a computer simulation study. Aplied Geochem. 21:1251-1258
Wright, K. (2006) Atomistic models of OH defects in nominally anhydrous minerals. In: Water in Nominally Anhydrous Minerals. Eds H. Keppler and J.R. Smyth Reviews in Mineralogy vol 62 pp 67-83
Walker, A.M., Demouchy, S. and Wright, K. (2006) Computer simulation of hydroxyl groups in a- and b-Mg2SiO4. Euro. J Mineral. 18:529-543
Smith, A.L., Hudson-Edwards, K. A., Dubbin, W.E. and Wright, K. (2006) Dissolution of Jarosite [KFe3(SO4)2(OH)6] at pH 2 and 8: Insights from Batch Experiments and Computational Modeling. Geochim. Cosmochim. Acta. 70:608-621
Blanchard M., Gale J.D., and Wright K. (2005) A computer simulations of OH defects in Mg2SiO4and Mg2GeO4 spinels. Phys. Chem Mins 32(8-9) 585-593
Blanchard M, Alfredsson M, Brodholt J, Catlow CRA, Price GD and Wright K. (2005) Electronic structure of the high-pressure vibrational spectrum of FeS 2 Pyrite. J Phys Chem. B. 109(46) 22067-22073
Austen, K.F., Wright, K., Slater, B. and Gale, J.D. (2005) The interaction of dolomite surfaces with impurities: A computer simulation study. Phys. Chem. Chem. Phys. 7(24) 4150-4156
Walker, A.M., Slater B., Gale, J.D. and Wright K. (2005) Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology. Phys. Chem. Chem. 7(17) 3227-3234
Walker, A.M., Slater B., Gale, J.D. and Wright K. (2005) Atomic scale modelling of the cores of dislocations in complex materials part 2: applications. Phys. Chem. Chem. Phys. 7(17) 3235-3242
Wells, S., Alfe D., Blanchard L., Brodholt J., Catlow C.R.A., Price G.D., Tyler R., and Wright K. (2005) Ab initio simulations of magnetic iron sulphides. Mol. Sim. 31(5) 379-384.
Blanchard M., Gale J.D., and Wright K. (2005) Atomistic simulations of Mg2SiO4and Mg2GeO4 spinels: a new model. Phys. Chem Mins. 32(5-6) 332-338
Wright K and Gale J.D. (2004) Interatomic potentials for the simulation of the zinc-blende and wurtzite forms of ZnS and CdS: Bulk structure, properties and phase stability. Phys. Rev. B. 70 article no. 035211
Walker, A.M., Slater B., Gale, J.D. and Wright K. (2004) Predicting the structure of screw dislocations in nanoporous materials. Nature Materials 3(10) 715-720
Rohl, A.L., Wright, K., and Gale J.D. (2003) Evidence for the (2x1) reconstruction of the surface of calcite from computer simulation. Am Miner. 88. 921-925.
Braithwaite, J.S, Wright, K. and Catlow, C.R.A. (2003). A theoretical study of the energetics and IR frequencies of hydroxyl defects in forsterite. J. Geophys. Res 108 (B6) art. no. 2284
Wright, K. (2003) Modeling point defects and diffusion in Earth materials Computational Materials Science. Ed. CRA Catlow. NATO Science Series III: Computer and Systems Sciences vol 187 pp308-320
Steele, H.M., Wright, K. and Hillier I.H. (2003) The interaction of Pb ions with the (110) surface of sphalerite (ZnS). Phys. Chem. Miner. 30 :69-75.
Sithole, H.M., Ngoepe, P.E. and Wright, K. (2003) Atomistic simulation of the structure and elastic properties of pyrite. Phys. Chem. Miner. 30 :615-619.
Walker A.M., Wright K. and Slater B. (2003) A computational study of oxygen diffusion in olivine. Phys. Chem. Miner. 30 :536-545
Cygan, R.T, Wright, K., Fisler, D.K., Gale, J.D. and Slater, B. (2002) Atomistic models of carbonate minerals: Bulk and surface structures, defects and diffusion. Molecular Simulation 28(6-7) :475-495
Braithwaite, J.S., Sushko, P.V, Wright, K. and Catlow C.R.A. (2002) Hydrogen defects in forsterite: A test case for the embedded cluster method. J. Chem.Phys . 116 ,2628-2635.
Steele, H.M., Wright, K. and Hillier I.H. (2002) Modelling the adsorption of uranyl on the surface of goethite. Geochimica Cosmochim. Acta . 66 :1305-1310
Wright, K., Cygan, R.T. and Slater, B. (2002) Impurities and non-stoichiometry in the bulk and on the surface of dolomite. Geochimica Cosmochim. Acta . 66 :2541-2546
Wright, K., Cygan, R.T. and Slater, B. (2001) Modelling the structure of the surfaces of calcite, dolomite and magnesite under wet and dry conditions. Phys. Chem. Chem. Phys . 3 :839-844
Steele, H., Wright, K., Hillier I.H. and Nygren, M.A. (2000) Interactions of the (001) surface of muscovite mica with Cu(II), Zn(II) and Cd(II): a computer simulation study. Geochimica Cosmochim. Acta . 64:257-262.
Wright, K., Hillier, I.H., Vaughan D.J. and Vincent M.A. (1999) Cluster models of the dissociation of water on the surface of Galena (PbS) Chem. Phys. Lett. 299 :527-531
Wright, K., Hillier, I.H. and Kresse, G. (1999) Dissociation of water on the surface of Galena (PbS): A comparison of periodic and cluster models. J. Chem Phys . 111 :6942-6946.
Wright, K. and Vaughan D.J. (1999) Crystal chemistry of metal sulfide minerals. Microscopic Properties and Processes in Minerals . Ed. K. Wright and CRA Catlow NATO Science Series C: Mathemartical and Physical Sciences vol. 543, pp265-280 Kluwer.
Wright, K., Watson, G.W., Parker, S.C. and Vaughan, D.J. (1998) Simulation of the structure and stability of sphalerite (ZnS) surfaces. Amer. Mineral 83 :141-146.
Azough, F., Wright, K., Freer, R., Jackson, R.A. and Catlow, C.R.A. (1998) A computer simulation study of point defects in diopside and the self diffusion of Mg and Ca. Mineral. Mag. 62 :599-606
Wright, K. and Vaughan D.J. (1998) Application of computer simulation methods to the study of metal sulfide minerals. Molecular Simulation . 21 :89-103.
Derdau, D., Freer, R. and Wright K. (1998) Oxygen diffusion in anhydrous sanidine feldspar. Contrib. Miner. Petrol. 133 :199-204
Pattrick, R.A.D., Charnock, J.M., England, K.E.R., Mosselmans, J.F.W and Wright, K. (1998) Lead sorption on the surface of ZnS with relevance to flotation: A fluorescence REFLEXAFS study. Miner. Engineer. 11 :1025-1033.
Vaughan, D.J. and Wright, K.V. (1998) Crystal Chemistry of Ore Minerals. In: Modern Approaches to Ore and Environmental Mineralogy . Ed. L.J. Cabri and D.J. Vaughan. Mineralogical Association of Canada Short Course Vol 27. pp75-110
Vaughan, D.J., Becker, U. and Wright, K. (1997) Sulfide mineral surfaces: Theory and experiment. International Journal of Mineral Processing 51 :1-14.
Freer, R., Wright, K., Kroll, H. and Göttlicher, J. (1997) Oxygen diffusion in sanidine feldspar and a critical appraisal of oxygen isotope-mass-effect measurements in non-cubic materials. Phil. Mag.A 75 (2):485-503.
Catlow, C.R.A., Cherry, M., Chow, K.H., Cottrell, S.P., Cox, S.F.J., Davis, E.A. and Wright, K.V. (1997) Modeling hydrogen in silicate minerals. Hyperfine Interactions 106 : 119-122.
Wright, K. and Catlow, C.R.A. (1996) Calculations on the energetics of water dissolution in wadsleyite. Phys. Chem . Minerals. 23 :38-41
Wright, K., Catlow, C.R.A and Freer, R. (1996) Water related defects and oxygen diffusion in albite. Contrib. Miner. Petrol. 125 :161-166
Wright, K. and Jackson, R.A. (1995) Computer simulation of the structure and defect properties of zinc sulphide. J. Materials Chemistry 5 :2037-2040
Wright, K., Freer, R. and Catlow, C.R.A. (1995) Oxygen diffusion in grossular and some geological implications. American Mineralogist. 80 :1020-1025
Catlow, C.R.A., Barram, P.S., Parker, S.C., Purton, J. and Wright, K.V. (1995) Protons in Oxides. Proc. R. Soc. London. A. 350 :265-275
Wright, K. and Catlow, C.R.A. (1994) A computer simulation study of OH defects in olivine. Phys. Chem Minerals 20 :515-518.
Wright, K., Freer, R. and Catlow, C.R.A. (1994) Energetics and structure of the hydrogarnet defect in grossular: A computer simulation study. Phys. Chem. Minerals 20 :500-504.
Wright, K., Freer, R. and Catlow, C.R.A. (1994) Oxygen Diffusion and Water-Related Defects in Feldspar Minerals: Information from Experimental and Modeling Studies. Min. Mag. 58 A:990-991.
Wright, K. and Price, G.D. (1993) Computer simulation of defects and diffusion in perovskites. J. Geophys. Res . 98 :22245-2225
Wright, K., Price, G.D. and Poirier, J.P. (1992) High Temperature Creep of the Perovskites CaTiO3 and NaNbO3. Phys. Earth and Plan. Ints . 74 :9-22
Wright, K. and Price, G.D. (1989) Computer Simulation of Iron in Magnesium Silicate Perovskite. Geophys. Res. Letts. 16 :1399-1403