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S

Stephen C. Parker

university of bath

79H-index
572Paper Count
2.2WCitation Count
Published Papers 136
Publication Date
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Impact of small-molecule adsorbates on the morphology of PuO2 nanoparticles from first-principles modelling
errJournal of Physics-Condensed Matter
IF2.6
err2026-02-20
err0
PREAI
errMoxon, Samuel; Flitcroft, Joseph M.; Skelton, Jonathan M.; Gillie, Lisa J.; Cooke, David J.; Parker, Stephen C.; Molinari, Marco
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Thermoelectric performance of oriented SrTiO3 nanofilms containing Σ3{111} grain boundary interfaces
errMaterials & Design
IF7.9
err2025-10-24
err0
errOAAI
errNathan D. Wood; Stephen R. Yeandel; Joseph M. Flitcroft; Jonathan M. Skelton; David J. Cooke; Lisa J. Gillie; Stephen C. Parker; Marco Molinari
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A computational high throughput search of symmetric tilt grain boundaries in cerium oxide
errACTA MATERIALIA
IF9.3
err2025-01-01
err0
errOAAI
errVigorito, Susanna; Statham, Joel M.; Tse, Joshua S.; Symington, Adam R.; Underwood, Tom L.; Watson, Graeme W.; Mobus, Guenter; Parker, Stephen C.; Gillie, Lisa J.; Cooke, David J.; Molinari, Marco
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Sorption of arsenate on cerium oxide: a simulated infrared and Raman spectroscopic identification
errENVIRONMENTAL SCIENCE-NANO
IF5.1
err2025-01-01
err0
errOAAI
errTa, Khoa Minh; Wisdom, Deyontae O.; Gillie, Lisa J.; Cooke, David J.; Zhu, Runliang; Goncalves, Mario A.; Parker, Stephen C.; Molinari, Marco
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Composition-dependent morphology of stoichiometric and oxygen deficient PuO2 nanoparticles in the presence of H2O and CO2: A density-functional theory study
errAPPLIED SURFACE SCIENCE
IF6.9
err2024-12-01
err1
errOAAI
errMoxon, Samuel; Flitcroft, Joseph M.; Gillie, Lisa J.; Cooke, David J.; Skelton, Jonathan M.; Parker, Stephen C.; Molinari, Marco
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Strain Effects on the Adsorption of Water on Cerium Dioxide Surfaces and Nanoparticles: A Modeling Outlook
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-10-17
err0
errOAAI
errMunir, Sidra; Ta, Khoa Minh; Smith, Thomas; Gillie, Lisa J.; Cooke, David J.; Parker, Stephen C.; Molinari, Marco
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A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-08-08
err0
errOAAI
errBonkowski, Alexander; Wolf, Matthew J.; Wu, Ji; Parker, Stephen C.; Klein, Andreas; De Souza, Roger A.
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errSave
Grain-boundary-dependent segregation and phase separation in ceria-zirconia from atomistic simulation
errACTA MATERIALIA
IF9.3
err2024-06-01
err0
errOAAI
errUnderwood, Tom L.; Vigorito, Susanna; Molinari, Marco; Purton, John; Wilding, Nigel B.; Irvine, John T. S.; Parker, Stephen C.
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Genetic algorithm assisted multiscale modeling of grain boundary segregation of Al in ZnO and its correlation with nominal dopant concentration
errJOURNAL OF THE EUROPEAN CERAMIC SOCIETY
IF6.2
err2024-02-01
err1
PREAI
errYadav, Navya; Parker, Stephen C.; Tewari, Abhishek
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Composition-dependent morphologies of CeO2 nanoparticles in the presence of Co-adsorbed H2O and CO2: a density functional theory study
errNANOSCALE
IF5.1
err2024-01-01
err6
errOAAI
errMoxon, Samuel; Symington, Adam R.; Tse, Joshua S.; Flitcroft, Joseph M.; Skelton, Jonathan M.; Gillie, Lisa J.; Cooke, David J.; Parker, Stephen C.; Molinari, Marco
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errSave
First principles insights into oxide/polymer composites: SrTiO3 /polyaniline/graphene
errJOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
IF14.3
err2023-12-01
err0
errOAAI
errWood, Nathan D.; Tse, Joshua S.; Skelton, Jonathan M.; Cooke, David J.; Gillie, Lisa J.; Parker, Stephen C.; Molinari, Marco
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errSave
BiVO4 Photoanodes Enhanced with Metal Phosphide Co-Catalysts: Relevant Properties to Boost Photoanode Performance
errSMALL
IF12.1
err2023-10-06
err6
errOAAI
errCui, Junyi; Daboczi, Matyas; Cui, Zhenyu; Gong, Mengjun; Flitcroft, Joseph; Skelton, Jonathan; Parker, Stephen C.; Eslava, Salvador
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Infrared and Raman Diagnostic Modeling of Phosphate Adsorption on Ceria Nanoparticles
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-10-04
err5
errOAAI
errTa, Khoa Minh; Cooke, David J.; Gillie, Lisa J.; Parker, Stephen C.; Seal, Sudipta; Wilson, Philippe B.; Phillips, Roger M.; Skelton, Jonathan M.; Molinari, Marco
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errSave
Real-time insight into the multistage mechanism of nanoparticle exsolution from a perovskite host surface
errNATURE COMMUNICATIONS
IF15.7
err2023-03-29
err20
errOAAI
errCali, Eleonora; Thomas, Melonie P.; Vasudevan, Rama; Wu, Ji; Gavalda-Diaz, Oriol; Marquardt, Katharina; Saiz, Eduardo; Neagu, Dragos; Unocic, Raymond R.; Parker, Stephen C.; Guiton, Beth S.; Payne, David J.
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errSave
Structural dynamics of Schottky and Frenkel defects in CeO2: a density-functional theory study
errJOURNAL OF PHYSICS-ENERGY
IF6.3
err2023-03-06
err7
errOAAI
errSmith, Thomas; Moxon, Samuel; Tse, Joshua S.; Skelton, Jonathan M.; Cooke, David J.; Gillie, Lisa J.; da Silva, E. Lora; Harker, Robert M.; Storr, Mark T.; Parker, Stephen C.; Molinari, Marco
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errSave
Identifying pathways to metal-organic framework collapse during solvent activation with molecular simulations
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2023-01-01
err5
errOAAI
errManning, Joseph R. H.; Donval, Gael; Tolladay, Mat; Underwood, Tom L.; Parker, Stephen C.; Duren, Tina
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Rapid Plasma Exsolution from an A-site Deficient Perovskite Oxide at Room Temperature
errADVANCED ENERGY MATERIALS
IF26
err2022-10-03
err27
errOAAI
errKhalid, Hessan; ul Haq, Atta; Alessi, Bruno; Wu, Ji; Savaniu, Cristian D.; Kousi, Kalliopi; Metcalfe, Ian S.; Parker, Stephen C.; Irvine, John T. S.; Maguire, Paul; Papaioannou, Evangelos, I; Mariotti, Davide
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Surface chemistry and porosity engineering through etching reveal ultrafast oxygen reduction kinetics below 400°C in B-site exposed (La,Sr)(Co,Fe)O3 thin-films
errJOURNAL OF POWER SOURCES
IF7.9
err2022-03-01
err8
errOAAI
errAcosta, Matias; Baiutti, Federico; Wang, Xuejing; Cavallaro, Andrea; Wu, Ji; Li, Weiwei; Parker, Stephen C. C.; Aguadero, Ainara; Wang, Haiyan; Tarancon, Albert; MacManus-Driscoll, Judith L.
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Structural dynamics of Schottky and Frenkel defects in ThO2: a density-functional theory study
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2022-01-01
err15
errOAAI
errMoxon, Samuel; Skelton, Jonathan; Tse, Joshua S.; Flitcroft, Joseph; Togo, A.; Cooke, David J.; da Silva, E. Lora; Harker, Robert M.; Storr, Mark T.; Parker, Stephen C.; Molinari, Marco
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Comparative Study of Oxygen Diffusion in Polyethylene Terephthalate and Polyethylene Furanoate Using Molecular Modeling: Computational Insights into the Mechanism for Gas Transport in Bulk Polymer Systems
errMACROMOLECULES
IF5.2
err2021-12-01
err19
errOAAI
errLightfoot, Jasmine C.; Buchard, Antoine; Castro-Dominguez, Bernardo; Parker, Stephen C.
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Research Directions

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Co-authors
Cooperation Journals
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Jillian F. Banfield
H-index: 154 · Papers: 935
G
Georg Kresse
H-index: 128 · Papers: 503
M
Martin Pumera
H-index: 128 · Papers: 1.2K
A
Aron Walsh
H-index: 126 · Papers: 984
P
Peter G. Bruce
H-index: 123 · Papers: 651
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