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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Parker, Stephen C.
University of Bath
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (33/33 displayed)
- 2024Genetic algorithm assisted multiscale modeling of grain boundary segregation of Al in ZnO and its correlation with nominal dopant concentrationcitations
- 2024Composition-dependent morphologies of CeO2 nanoparticles in the presence of Co-adsorbed H2O and CO2citations
- 2024A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxidescitations
- 2024Composition-dependent morphologies of CeO 2 nanoparticles in the presence of Co-adsorbed H 2 O and CO 2 : a density functional theory studycitations
- 2023A molecular dynamics approach to modelling oxygen diffusion in PLA and PLA clay nanocompositescitations
- 2021Partially anion-ordered cerium niobium oxynitride perovskite phase with a small band gapcitations
- 2020Accuracy of hybrid functionals with non-self-consistent Kohn-Sham orbitals for predicting the properties of semiconductorscitations
- 2019Thermodynamics, Electronic Structure, and Vibrational Properties of Sn n(S 1- xSe x) m Solid Solutions for Energy Applicationscitations
- 2019Thermodynamics, Electronic Structure, and Vibrational Properties of Sn n (S 1– x Se x) m Solid Solutions for Energy Applicationscitations
- 2019An introduction to classical molecular dynamics simulation for experimental scattering userscitations
- 2018Prospects for Engineering Thermoelectric Properties in La 1/3 NbO 3 Ceramics Revealed via Atomic-Level Characterization and Modelingcitations
- 2017cemffcitations
- 2017Structural, Electronic and Transport Properties of Hybrid SrTiO3-Graphene and Carbon Nanoribbon Interfacescitations
- 2017cemff : A force field database for cementitious materials including validations, applications and opportunitiescitations
- 2017Structure and properties of some layered U2O5 phasescitations
- 2017cemff: a force field database for cementitious materials including validations, applications and opportunitiescitations
- 2016Observation of a re-entrant phase transition in the molecular complex tris(μ2-3,5-diisopropyl-1,2,4-triazolato-κ2N1:N2)trigold(I) under high pressurecitations
- 2016The role of structure and defect chemistry in high-performance thermoelectric bismuth strontium cobalt oxidescitations
- 2016Role of Structure and Defect Chemistry in High-Performance Thermoelectric Bismuth Strontium Cobalt Oxidescitations
- 2016Ba6−3xNd8+2xTi18O54 Tungsten Bronzecitations
- 2015High-temperature thermoelectric properties of (1 − x) SrTiO3 − (x) La1/3NbO3 ceramic solid solutioncitations
- 2015Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductorscitations
- 2014The Shape of TiO2-B Nanoparticlescitations
- 2014Defect chemistry of Ti and Fe impurities and aggregates in Al 2 O 3citations
- 2014Mechanical properties of mesoporous ceria nanoarchitecturescitations
- 2013Morphology and surface analysis of pure and doped cuboidal ceria nanoparticlescitations
- 2013Atomistic modeling of the sorption free energy of dioxins at clay-water interfacescitations
- 2012Cationic surface reconstructions on cerium oxide nanocrystals: an aberration-corrected HRTEM studycitations
- 2012Strain and architecture-tuned reactivity in ceria nanostructures; Enhanced catalytic oxidation of CO to CO2citations
- 2012Study of surfaces and morphologies of proteic sol–gel derived barium aluminate nanopowders: An experimental and computational studycitations
- 2011Electron hopping rate measurements in ITO junctions: Charge diffusion in a layer-by-layer deposited ruthenium(II)-bis(benzimidazolyl)pyridine-phosphonate-TiO2 filmcitations
- 2010ElAM: A computer program for the analysis and representation of anisotropic elastic propertiescitations
- 2008Atomistic Simulation of Y-Doped alpha-Alumina Interfacescitations
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