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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
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
7362005
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
7352005
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
6021994
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
5791998
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
3152010
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
3142004
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
2461998
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
2461998
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
2431997
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
2431997
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
2381999
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
2381999
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
2332014
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
2312012
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
2312012
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
2081996
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
1972009
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
1901999
Oxidising CO to CO2 using ceria nanoparticles
TXT Sayle, SC Parker, DC Sayle
Physical Chemistry Chemical Physics 7 (15), 2936-2941, 2005
1882005
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
1822014
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