Stephen C. Parker

University of Bath — United Kingdom

Materials Science · Physical Sciences

79h-index22.2kcitations572works4.22yr avg
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Research Topics

Catalytic Processes in Materials Science(80), X-ray Diffraction in Crystallography(62), High-pressure geophysics and materials(54), Electronic and Structural Properties of Oxides(53), Calcium Carbonate Crystallization and Inhibition(44)

Publications572 total

Impact of small-molecule adsorbates on the morphology of PuO <sub>2</sub> nanoparticles from first-principles modelling
Journal of Physics Condensed Matter·2026Open Access
The effect of co-adsorbed H2O2, CO2 and H2O on CeO2 nanoparticle morphology: A density-functional theory study
Ceramics International·2025Open Access
Thermoelectric performance of oriented SrTiO3 nanofilms containing Σ3{111} grain boundary interfaces
Materials & Design·2025Open Access
SDN-controlled open RAN X-haul with point-to-multipoint transceivers on a horseshoe network
Journal of Optical Communications and Networking·2025
Comprehensive Review of BIM Integration for Advancing Circular Economy Practices in Construction
2025Open Access
The Buffering Activity of Ceria toward Reactive Oxygen Species: A Density Functional Theory Perspective
The Journal of Physical Chemistry C·2025· 2 citedOpen Access
Modelling phosphate and arsenate adsorption on cerium dioxide: A density functional theory study
Applied Surface Science·2025· 4 citedOpen Access
A computational high throughput search of symmetric tilt grain boundaries in cerium oxide
Acta Materialia·2025· 1 citedOpen Access
Sorption of arsenate on cerium oxide: a simulated infrared and Raman spectroscopic identification
Environmental Science Nano·2025· 5 citedOpen Access
Strain Effects on the Adsorption of Water on Cerium Dioxide Surfaces and Nanoparticles: A Modeling Outlook
The Journal of Physical Chemistry C·2024· 7 citedOpen Access
Composition-dependent morphology of stoichiometric and oxygen deficient PuO2 nanoparticles in the presence of H2O and CO2: A density-functional theory study
Applied Surface Science·2024· 4 citedOpen Access
A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides
Journal of the American Chemical Society·2024· 21 citedOpen Access
Grain-boundary-dependent segregation and phase separation in ceria–zirconia from atomistic simulation
Acta Materialia·2024· 7 citedOpen Access
Composition-Dependent Morphology of Stoichiometric and Oxygen Deficient Puo2 Nanoparticles in the Presence of H2o and Co2: A Density-Functional Theory Study
SSRN Electronic Journal·2024Open Access
Composition-dependent morphologies of CeO<sub>2</sub> nanoparticles in the presence of Co-adsorbed H<sub>2</sub>O and CO<sub>2</sub>: a density functional theory study
Nanoscale·2024· 12 citedOpen Access
Data for 'Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation'
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
Infrared and Raman Diagnostic Modeling of Phosphate Adsorption on Ceria Nanoparticles
The Journal of Physical Chemistry C·2023· 21 citedOpen Access
Data for 'Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation'
arXiv (Cornell University)·2023Open Access
Genetic algorithm assisted multiscale modeling of grain boundary segregation of Al in ZnO and its correlation with nominal dopant concentration
Journal of the European Ceramic Society·2023· 4 citedOpen Access
Identifying pathways to metal-organic framework collapse during solvent activation with molecular simulations
2023· 1 citedOpen Access
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Frequent Co-authors

Graeme W. Watson(10), Nora H. de Leeuw(7), Charles T. Campbell(5), C. Richard A. Catlow(5), Jonathan M. Skelton(5), Aron Walsh(5), Michael Nolan(4), Dean C. Sayle(4), Thi X. T. Sayle(4), Marco Molinari(4), Atsushi Togo(3), Isao Tanaka(3), Aslam Kunhi Mohamed(3), Sandra Galmarini(3), Paul Bowen(3), M. Saiful Islam(3), D. A. Tompsett(3), G. D. Price(3), E. Toby Kelsey(2), A. Marmier(2)