Kate Wright

Professor

  • The University of Western Australia (M021), 35 Stirling Highway,

    6009 Perth

    Australia

1989 …2015
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Research Output 1989 2015

  • 71 Article
  • 1 Chapter
  • 1 Conference paper
  • 1 Conference presentation/ephemera
2015
4 Citations (Scopus)

Calculation of the energetics of water incorporation in majorite garnet

Pigott, J. S., Wright, K., Gale, J. D. & Panero, W. R., 1 May 2015, In : American Mineralogist. 100, 5-6, p. 1065-1075 11 p.

Research output: Contribution to journalArticle

majorite
Garnets
garnets
defect
garnet
2014
13 Citations (Scopus)

Incorporation of Y and REEs in aluminosilicate garnet: Energetics from atomistic simulation

Carlson, W. D., Gale, J. D. & Wright, K., 2014, In : American Mineralogist. 99, 5-6, p. 1022-1034 13 p.

Research output: Contribution to journalArticle

Garnets
aluminosilicate
garnets
garnet
rare earth element
15 Citations (Scopus)

Synthesis, characterization and thermochemistry of synthetic Pb-As, Pb-Cu and Pb-Zn jarosites

Forray, F. L., Smith, A. M. L., Navrotsky, A., Wright, K., Hudson-Edwards, K. A. & Dubbin, W. E., 15 Feb 2014, In : Geochimica et Cosmochimica Acta. 127, p. 107-119 13 p.

Research output: Contribution to journalArticle

thermochemistry
Thermochemistry
jarosite
diagram
Gibbs free energy
2012
5 Citations (Scopus)

Coupled (Li+, Al3+) substitutions in hydrous forsterite

Zhang, F. & Wright, K., 2012, In : American Mineralogist. 97, 2-3, p. 425-429 5 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Lithium defects and diffusivity in forsterite

Zhang, F. & Wright, K., 15 Aug 2012, In : Geochimica et Cosmochimica Acta. 91, p. 32-39 8 p.

Research output: Contribution to journalArticle

21 Citations (Scopus)

Simultaneous Release of Fe and As during the Reductive Dissolution of Pb-As Jarosite by Shewanella putrefaciens CN32

Smeaton, C. M., Walshe, G. E., Smith, A. M. L., Hudson-Edwards, K. A., Dubbin, W. E., Wright, K., Beale, A. M., Fryer, B. J. & Weisener, C. G., 4 Dec 2012, In : Environmental Science & Technology. 46, 23, p. 12823-12831 9 p.

Research output: Contribution to journalArticle

2011
5 Citations (Scopus)

Computer simulations of the interactions of the (012) and (001) surfaces of jarosite with Al, Cd, Cu2+ and Zn

Hudson-Edwards, K. A. & Wright, K., 1 Jan 2011, In : Geochimica et Cosmochimica Acta. 75, 1, p. 52-62 11 p.

Research output: Contribution to journalArticle

jarosite
computer simulation
Computer simulation
Vacancies
substitution
82 Citations (Scopus)

Dehydroxylation of kaolinite to metakaolin-a molecular dynamics study

Sperinck, S., Raiteri, P., Marks, N. & Wright, K., 2011, In : Journal of Materials Chemistry. 21, 7, p. 2118-2125 8 p.

Research output: Contribution to journalArticle

2010
10 Citations (Scopus)

A first-principles determination of the orientation of H3O + in hydronium alunite

Gale, J. D., Wright, K. & Hudson-Edwdwards, K. A., Jul 2010, In : American Mineralogist. 95, 7, p. 1109-1112 4 p.

Research output: Contribution to journalArticle

alunite
Cations
cation
disorders
cations
16 Citations (Scopus)

A first principles study of the distribution of iron in sphalerite

Wright, K. & Gale, J. D., Jun 2010, In : Geochimica et Cosmochimica Acta. 74, 12, p. 3514-3520 7 p.

Research output: Contribution to journalArticle

sphalerite
Iron
iron
Zinc
zinc
12 Citations (Scopus)

Coupled (H+,M3+) substitutions in forsterite

Zhang, F. & Wright, K., 1 Oct 2010, In : Geochimica et Cosmochimica Acta. 74, 20, p. 5958-5965 8 p.

Research output: Contribution to journalArticle

forsterite
substitution
Substitution reactions
cation
Cations
28 Citations (Scopus)

Defects and dislocations in MgO: Atomic scale models of impurity segregation and fast pipe diffusion

Zhang, F., Walker, A. M., Wright, K. & Gale, J. D., 14 Dec 2010, In : Journal of Materials Chemistry. 20, 46, p. 10445-10451 7 p.

Research output: Contribution to journalArticle

Point defects
Dislocations (crystals)
Pipe
Impurities
Defects
22 Citations (Scopus)
6 Citations (Scopus)

Lattice dynamics from force-fields as a technique for mineral physics

Gale, J. D. & Wright, K., 2010, In : Reviews in Mineralogy & Geochemistry. 71, 1, p. 391-411 21 p.

Research output: Contribution to journalArticle

27 Citations (Scopus)

Synthesis, characterization and thermochemistry of a Pb-jarosite

Forray, F. L., Smith, A. M. L., Drouet, C., Navrotsky, A., Wright, K., Hudson-Edwards, K. A. & Dubbin, W. E., 1 Jan 2010, In : Geochimica et Cosmochimica Acta. 74, 1, p. 215-224 10 p.

Research output: Contribution to journalArticle

thermochemistry
Thermochemistry
jarosite
enthalpy
Enthalpy
2009
29 Citations (Scopus)

A computational study of magnesium point defects and diffusion in forsterite

Walker, A. M., Woodley, S. M., Slater, B. & Wright, K., Jan 2009, In : Physics of the Earth and Planetary Interiors. 172, 1-2, p. 20-27 8 p.

Research output: Contribution to journalArticle

forsterite
point defects
defect
magnesium
defects
19 Citations (Scopus)

A computer simulation study of the effect of pressure on Mg diffusion in forsterite

Béjina, F., Blanchard, M., Wright, K. & Price, G. D., Jan 2009, In : Physics of the Earth and Planetary Interiors. 172, 1-2, p. 13-19 7 p.

Research output: Contribution to journalArticle

forsterite
computer simulation
computerized simulation
saddle points
energy
34 Citations (Scopus)

Incorporation of water in iron-free ringwoodite: A first-principles study

Blanchard, M., Balan, E. & Wright, K., Jan 2009, In : American Mineralogist. 94, 1, p. 83-89 7 p.

Research output: Contribution to journalArticle

ringwoodite
defect
Iron
iron
Defects
24 Citations (Scopus)

Raman and ir spectroscopic studies of alunite-supergroup compounds containing Al, Cr3+, Fe3+ AND V3+ at the B site

Murphy, P. J., Smith, A. M. L., Hudson-Edwards, K. A., Dubbin, W. E. & Wright, K., Jun 2009, In : Canadian Mineralogist. 47, 3, p. 663-681 19 p.

Research output: Contribution to journalArticle

alunite
jarosite
Raman spectroscopy
Cations
Infrared spectroscopy
11 Citations (Scopus)

Synthesis and characterisation of lamellar ZnS nanosheets containing intercalated diamines

Sperinck, S., Becker, T., Wright, K. & Richmond, W. R., 2009, In : Journal of Inclusion Phenomena and Macrocyclic Chemistry. 65, p. 89-95

Research output: Contribution to journalArticle

13 Citations (Scopus)

The incorporation of cadmium, manganese and ferrous iron in sphalerite: Insights from computer simulations

Wright, K., Jun 2009, In : Canadian Mineralogist. 47, 3, p. 615-623 9 p.

Research output: Contribution to journalArticle

Manganese
sphalerite
Cadmium
computer simulation
manganese
2008
6 Citations (Scopus)

Comparison of the structures of natural and synthetic Pb-Cu-jarosite-type compounds

Hudson-Edwards, K. A., Smith, A. M. L., Dubbin, W. E., Bennett, A. J., Murphy, P. J. & Wright, K., Mar 2008, In : European Journal of Mineralogy. 20, 2, p. 241-252 12 p.

Research output: Contribution to journalArticle

jarosite
shell
Extended X ray absorption fine structure spectroscopy
X ray absorption near edge structure spectroscopy
XANES spectroscopy
41 Citations (Scopus)

Theoretical infrared absorption coefficient of OH groups in minerals

Balan, E., Refson, K., Blanchard, M., Delattre, S., Lazzeri, M., Ingrin, J., Mauri, F., Wright, K. & Winkler, B., May 2008, In : American Mineralogist. 93, 5-6, p. 950-953 4 p.

Research output: Contribution to journalArticle

Infrared absorption
absorption coefficient
infrared absorption
Minerals
absorptivity
2007
36 Citations (Scopus)

Adsorption of as(OH)3 on the (001) surface of FeS2 pyrite: A quantum-mechanical DFT study

Blanchard, M., Wright, K., Gale, J. D. & Catlow, C. R. A., 2 Aug 2007, In : Journal of Physical Chemistry C. 111, 30, p. 11390-11396 7 p.

Research output: Contribution to journalArticle

Pyrites
pyrites
Arsenic
Density functional theory
arsenic
91 Citations (Scopus)

Arsenic incorporation into FeS2 pyrite and its influence on dissolution: A DFT study

Blanchard, M., Alfredsson, M., Brodholt, J., Wright, K. & Catlow, C. R. A., 1 Feb 2007, In : Geochimica et Cosmochimica Acta. 71, 3, p. 624-630 7 p.

Research output: Contribution to journalArticle

Arsenic
Density functional theory
arsenic
pyrite
Dissolution
4 Citations (Scopus)

Towards more sustainable minefills - Replacement of ordinary portland cement with geopolymer cements

Southam, D. C., Brent, G. F., Felipe, F., Carr, C., Hart, R. D. & Wright, K., 1 Dec 2007, p. 157-163. 7 p.

Research output: Contribution to conferenceConference presentation/ephemera

Geopolymers
Portland cement
Cements
cement
fill
2006
19 Citations (Scopus)

Atomistic models of OH defects in nominally anhydrous minerals

Wright, K., 2006, Water in Nominally Anhydrous Minerals. Vol. 62. p. 67-83 17 p. (Reviews in Mineralogy and Geochemistry; vol. 62).

Research output: Chapter in Book/Conference paperChapter

Computational investigation into the adsorption of pollutants onto mineral surfaces: Arsenate and dolomite

Austen, K. F., Wright, K., Slater, B. & Gale, J. D., 1 Dec 2006, Materials Science of Water Purification. Vol. 930. p. 60-65 6 p.

Research output: Chapter in Book/Conference paperConference paper

arsenates
Minerals
contaminants
minerals
Adsorption
17 Citations (Scopus)

Computer modelling of hydrogen defects in the clinopyroxenes diopside and jadeite

Gatzemeier, A. & Wright, K., Apr 2006, In : Physics and Chemistry of Minerals. 33, 2, p. 115-125 11 p.

Research output: Contribution to journalArticle

jadeite
diopside
defect
Hydrogen
hydrogen
39 Citations (Scopus)

Computer modelling of the energies and vibrational properties of hydroxyl groups in alpha- and beta-Mg(2)SO(4)

Walker, A. M., Demouchy, S. & Wright, K., 2006, In : European Journal of Mineralogy. 18, 5, p. 529-543 15 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)

Defects and impurities in jarosite: A computer simulation study

Smith, A. M. L., Hudson-Edwards, K. A., Dubbin, W. E. & Wright, K., Aug 2006, In : Applied Geochemistry. 21, 8, p. 1251-1258 8 p.

Research output: Contribution to journalArticle

jarosite
computer simulation
defect
Impurities
Defects
82 Citations (Scopus)

Dissolution of jarosite [KFe3(SO4)(2)(OH)(6)] at pH 2 and 8: Insights from batch experiments and computational modelling

Smith, A. M. L., Hudson-Edwards, KA., Dubbin, W. E. & Wright, K., 1 Feb 2006, In : Geochimica et Cosmochimica Acta. 70, 3, p. 608-621 14 p.

Research output: Contribution to journalArticle

53 Citations (Scopus)

Dissolution of lead- and lead-arsenic-jarosites at pH 2 and 8 and 20 °C: Insights from batch experiments

Smith, A. M. L., Dubbin, W. E., Wright, K. & Hudson-Edwards, K. A., 30 May 2006, In : Chemical Geology. 229, 4, p. 344-361 18 p.

Research output: Contribution to journalArticle

jarosite
Arsenic
arsenic
Dissolution
dissolution
2005
11 Citations (Scopus)

Ab-initio simulations of magnetic iron sulphides

Wells, S., Alfe, D., Blanchard, L., Brodholt, J., Calleja, M., Catlow, R., Price, D., Tyler, R. & Wright, K., 30 Apr 2005, In : Molecular Simulation. 31, 5, p. 379-384 6 p.

Research output: Contribution to journalArticle

troilite
Sulfides
Iron
sulfides
iron
21 Citations (Scopus)

A computer simulation study of OH defects in Mg2SiO4 and Mg2GeO4 spinels

Blanchard, M., Wright, K. & Gale, J. D., 1 Dec 2005, In : Physics and Chemistry of Minerals. 32, 8-9, p. 585-593 9 p.

Research output: Contribution to journalArticle

computer simulation
defect
ringwoodite
Hydrogen
Defects
25 Citations (Scopus)

Atomic scale modelling of the cores of dislocations in complex materials part 1: Methodology

Walker, A. M., Gale, J. D., Slater, B. & Wright, K., 7 Sep 2005, In : Physical Chemistry Chemical Physics. 7, 17, p. 3227-3234 8 p.

Research output: Contribution to journalArticle

methodology
Dislocations (crystals)
Plastic deformation
Dissolution
Crystal structure
41 Citations (Scopus)

Atomic scale modelling of the cores of dislocations in complex materials part 2: Applications

Walker, A. M., Gale, J. D., Slater, B. & Wright, K., 7 Sep 2005, In : Physical Chemistry Chemical Physics. 7, 17, p. 3235-3242 8 p.

Research output: Contribution to journalArticle

Zeolites
lattice energy
forsterite
screw dislocations
atomic structure
15 Citations (Scopus)

Atomistic simulation of Mg2SiO4 and Mg2 GeO4 spinels: A new model

Blanchard, M., Wright, K. & Gale, J. D., 1 Sep 2005, In : Physics and Chemistry of Minerals. 32, 5-6, p. 332-338 7 p.

Research output: Contribution to journalArticle

defect
shell
wadsleyite
ringwoodite
simulation
7 Citations (Scopus)

Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide

Ngoepe, P. E., Ntoahae, P. S., Mangwejane, S. S., Sithole, H. M., Parker, S. C., Wright, K. V. & De Leeuw, N. H., 1 Sep 2005, In : South African Journal of Science. 101, 9-10, p. 480-483 4 p.

Research output: Contribution to journalArticle

platinum
iron sulfide
Sulfides
Platinum
sulfides
31 Citations (Scopus)

Electronic structure study of the high-pressure vibrational spectrum of FeS 2 pyrite

Blanchard, M., Alfredsson, M., Brodholt, J., Price, G. D., Wright, K. & Catlow, C. R. A., 24 Nov 2005, In : Journal of Physical Chemistry B. 109, 46, p. 22067-22073 7 p.

Research output: Contribution to journalArticle

Pyrites
Vibrational spectra
pyrites
vibrational spectra
Electronic structure
27 Citations (Scopus)

The interaction of dolomite surfaces with metal impurities: A computer simulation study

Austen, K. F., Wright, K., Slater, B. & Gale, J. D., 21 Dec 2005, In : Physical Chemistry Chemical Physics. 7, 24, p. 4150-4156 7 p.

Research output: Contribution to journalArticle

Substitution reactions
computerized simulation
Metals
Impurities
substitutes
2004
95 Citations (Scopus)
Phase stability
wurtzite
Zinc
zinc
Minerals
46 Citations (Scopus)

Predicting the structure of screw dislocations in nanoporous materials

Walker, A. M., Slater, B., Gale, J. D. & Wright, K., 1 Jan 2004, In : Nature Materials. 3, 10, p. 715-720 6 p.

Research output: Contribution to journalArticle

Screw dislocations
screw dislocations
Zeolites
Chirality
chirality
2003
54 Citations (Scopus)

A computational study of oxygen diffusion in olivine

Walker, A. M., Wright, K. & Slater, B., 1 Oct 2003, In : Physics and Chemistry of Minerals. 30, 9, p. 536-545 10 p.

Research output: Contribution to journalArticle

Olivine
olivine
Oxygen
oxygen
activation energy
23 Citations (Scopus)

A quantum-mechanical study of the (110) surface of sphalerite (ZnS) and its interaction with Pb2+ species

Steele, H. M., Wright, K. & Hillier, I. H., 1 Mar 2003, In : Physics and Chemistry of Minerals. 30, 2, p. 69-75 7 p.

Research output: Contribution to journalArticle

sphalerite
adsorption
Adsorption
Density functional theory
Ions
50 Citations (Scopus)

A theoretical study of the energetics and IR frequencies of hydroxyl defects in forsterite

Braithwaite, J. S., Wright, K. & Catlow, C. R. A., 10 Jun 2003, In : Journal of Geophysical Research: Solid Earth. 108, 6, p. 1-1 - 1-9

Research output: Contribution to journalArticle

forsterite
theoretical study
Hydroxyl Radical
defect
energetics
26 Citations (Scopus)

Atomistic simulation of the structure and elastic properties of pyrite (FeS2) as a function of pressure

Sithole, H. M., Ngoepe, P. E. & Wright, K., 1 Nov 2003, In : Physics and Chemistry of Minerals. 30, 10, p. 615-619 5 p.

Research output: Contribution to journalArticle

Pyrites
elastic property
pyrite
marcasite
simulation
81 Citations (Scopus)

Evidence from surface phonons for the (2 × 1) reconstruction of the (101̄4) surface of calcite from computer simulation

Rohl, A. L., Wright, K. & Gale, J. D., 1 Jan 2003, In : American Mineralogist. 88, 5, p. 921-925 5 p.

Research output: Contribution to journalArticle

Calcium Carbonate
Phonons
calcite
computer simulation
phonons
2002
29 Citations (Scopus)

Atomistic models of carbonate minerals: Bulk and surface structures, defects, and diffusion

Cygan, R. T., Wright, K., Fisler, D. K., Gale, J. D. & Slater, B., 1 Jan 2002, In : Molecular Simulation. 28, 6-7, p. 475-495 21 p.

Research output: Contribution to journalArticle

Carbonate minerals
Calcium Carbonate
Calcite
Surface structure
Carbonates
39 Citations (Scopus)

Hydrogen defects in forsterite: A test case for the embedded cluster method

Spencer Braithwaite, J., Sushko, P. V., Wright, K. & Catlow, C. R. A., 8 Feb 2002, In : Journal of Chemical Physics. 116, 6, p. 2628-2635 8 p.

Research output: Contribution to journalArticle

forsterite
Hydrogen
Defects
defects
hydrogen