HEGOI
MANZANO MORO
PROFESORADO AGREGADO
Publicaciones (91) Publicaciones de HEGOI MANZANO MORO
2024
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Mineral dissolution mechanism of alite polymorphs from ReaxFF molecular dynamics and 29Si NMR investigations
Applied Surface Science, Vol. 655
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The initial stages of cement hydration at the molecular level
Nature Communications, Vol. 15, Núm. 1
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Unlocking cementitious performance: nano-lubrication via polycarboxylate superplasticizers
Journal of the American Ceramic Society, Vol. 107, Núm. 5, pp. 3055-3067
2023
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Adsorption and migration of Cs and Na ions in geopolymers and zeolites
Materials Today Communications, Vol. 36
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MgO‐based cements – Current status and opportunities
RILEM Technical Letters, Vol. 8, pp. 65-78
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Molecular-Level Insight into Charge Carrier Transport and Speciation in Solid Polymer Electrolytes by Chemically Tuning Both Polymer and Lithium Salt
Journal of Physical Chemistry C, Vol. 127, Núm. 4, pp. 1955-1964
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Multi-step nucleation pathway of C-S-H during cement hydration from atomistic simulations
Nature Communications, Vol. 14, Núm. 1
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Multiscale deterioration of recycled aggregate gel network via solar irradiation: Reaction molecular dynamics and experiments
Journal of Cleaner Production, Vol. 426
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Synergistic theoretical and experimental study on the ion dynamics of bis(trifluoromethanesulfonyl)imide-based alkali metal salts for solid polymer electrolytes
Physical Chemistry Chemical Physics, Vol. 25, Núm. 36, pp. 25038-25054
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ænet-PyTorch: A GPU-supported implementation for machine learning atomic potentials training
The Journal of chemical physics, Vol. 158, Núm. 16
2022
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A comprehensive review of C-S-H empirical and computational models, their applications, and practical aspects
Cement and Concrete Research, Vol. 156
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A potential C-S-H nucleation mechanism: atomistic simulations of the portlandite to C-S-H transformation
Cement and Concrete Research, Vol. 162
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Anion π-πStacking for Improved Lithium Transport in Polymer Electrolytes
Journal of the American Chemical Society, Vol. 144, Núm. 22, pp. 9806-9816
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Exploring Mechanisms of Hydration and Carbonation of MgO and Mg(OH)2in Reactive Magnesium Oxide-Based Cements
Journal of Physical Chemistry C, Vol. 126, Núm. 14, pp. 6196-6206
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Nanoscale shear cohesion between cement hydrates: The role of water diffusivity under structural and electrostatic confinement
Cement and Concrete Research, Vol. 154
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Special issue on Atomistic simulations applications in cement and related building materials
Cement and Concrete Research
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Unveiling the Role of Tetrabutylammonium and Cesium Bulky Cations in Enhancing Na-O2 Battery Performance
Advanced Energy Materials, Vol. 12, Núm. 2
2021
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A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale
Cement and Concrete Research, Vol. 142
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Cs retention and diffusion in C-S-H at different Ca/Si ratio
Cement and Concrete Research, Vol. 140
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De docente a YouTuber: ¿cómo llegar al alumnado universitariodel siglo XXI?
Medios digitales y metodologías docentes: Mejorar la educación desde un abordaje integral (Adaya Press), pp. 216-225