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Steve Parker
Steve Parker
Professor of Chemistry, University of Bath
Bestätigte E-Mail-Adresse bei bath.ac.uk
Titel
Zitiert von
Zitiert von
Jahr
The electronic structure of oxygen vacancy defects at the low index surfaces of ceria
M Nolan, SC Parker, GW Watson
Surface Science 595 (1-3), 223-232, 2005
8242005
Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria
M Nolan, S Grigoleit, DC Sayle, SC Parker, GW Watson
Surface Science 576 (1-3), 217-229, 2005
8212005
Surface structure and morphology of calcium carbonate polymorphs calcite, aragonite, and vaterite: an atomistic approach
NH de Leeuw, SC Parker
The Journal of Physical Chemistry B 102 (16), 2914-2922, 1998
6451998
The role of oxygen vacancies on ceria surfaces in the oxidation of carbon monoxide
TXT Sayle, SC Parker, CRA Catlow
Surface Science 316 (3), 329-336, 1994
6251994
ElAM: A computer program for the analysis and representation of anisotropic elastic properties
A Marmier, ZAD Lethbridge, RI Walton, CW Smith, SC Parker, KE Evans
Computer Physics Communications 181 (12), 2102-2115, 2010
3882010
Free energy of adsorption of water and metal ions on the {1014} calcite surface
S Kerisit, SC Parker
Journal of the American Chemical Society 126 (32), 10152-10161, 2004
3352004
Water adsorption and its effect on the stability of low index stoichiometric and reduced surfaces of ceria
M Molinari, SC Parker, DC Sayle, MS Islam
The Journal of Physical Chemistry C 116 (12), 7073-7082, 2012
2702012
Water adsorption and its effect on the stability of low index stoichiometric and reduced surfaces of ceria
M Molinari, SC Parker, DC Sayle, MS Islam
The Journal of Physical Chemistry C 116 (12), 7073-7082, 2012
2702012
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
JM Skelton, SC Parker, A Togo, I Tanaka, A Walsh
Physical Review B 89 (20), 205203, 2014
2662014
Modeling the surface structure and stability of α-quartz
NH de Leeuw, FM Higgins, SC Parker
The Journal of Physical Chemistry B 103 (8), 1270-1277, 1999
2561999
Modeling the surface structure and stability of α-quartz
NH de Leeuw, FM Higgins, SC Parker
The Journal of Physical Chemistry B 103 (8), 1270-1277, 1999
2561999
Atomistic simulation of the effect of molecular adsorption of water on the surface structure and energies of calcite surfaces
NH de Leeuw, SC Parker
Journal of the Chemical Society, Faraday Transactions 93 (3), 467-475, 1997
2561997
Atomistic simulation of the effect of molecular adsorption of water on the surface structure and energies of calcite surfaces
NH de Leeuw, SC Parker
Journal of the Chemical Society, Faraday Transactions 93 (3), 467-475, 1997
2561997
Molecular-dynamics simulation of MgO surfaces in liquid water using a shell-model potential for water
NH De Leeuw, SC Parker
Physical Review B 58 (20), 13901, 1998
2491998
Molecular-dynamics simulation of MgO surfaces in liquid water using a shell-model potential for water
NH De Leeuw, SC Parker
Physical Review B 58 (20), 13901, 1998
2491998
Lattice dynamics of the tin sulphides SnS 2, SnS and Sn 2 S 3: vibrational spectra and thermal transport
JM Skelton, LA Burton, AJ Jackson, F Oba, SC Parker, A Walsh
Physical Chemistry Chemical Physics 19 (19), 12452-12465, 2017
2392017
Modelling of the thermal dependence of structural and elastic properties of calcite, CaCO3
A Pavese, M Catti, SC Parker, A Wall
Physics and chemistry of minerals 23 (2), 89-93, 1996
2151996
Lithium Insertion and Transport in the TiO2− B Anode Material: A Computational Study
C Arrouvel, SC Parker, MS Islam
Chemistry of Materials 21 (20), 4778-4783, 2009
2092009
Ab initio calculation of the origin of the distortion of α-PbO
GW Watson, SC Parker, G Kresse
Physical Review B 59 (13), 8481, 1999
2081999
Rutile (β-) MnO2 Surfaces and Vacancy Formation for High Electrochemical and Catalytic Performance
DA Tompsett, SC Parker, MS Islam
Journal of the American Chemical Society 136 (4), 1418-1426, 2014
2012014
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