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Daniel Muñoz-Santiburcio
Daniel Muñoz-Santiburcio
Instituto de Fusión Nuclear "Guillermo Velarde" - Universidad Politécnica de Madrid
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Chemistry in nanoconfined water
D Muñoz-Santiburcio, D Marx
Chemical Science 8 (5), 3444-3452, 2017
1162017
Nanoconfinement in slit pores enhances water self-dissociation
D Munoz-Santiburcio, D Marx
Physical review letters 119 (5), 056002, 2017
862017
Confinement-controlled aqueous chemistry within nanometric slit pores: Focus review
D Munoz-Santiburcio, D Marx
Chemical Reviews 121 (11), 6293-6320, 2021
852021
Nanoconfinement effects on hydrated excess protons in layered materials
D Muñoz-Santiburcio, C Wittekindt, D Marx
Nature Communications 4, 2349, 2013
702013
Atomic-Scale Explanation of O2 Activation at the Au–TiO2 Interface
N Siemer, A Lüken, M Zalibera, J Frenzel, D Muñoz-Santiburcio, ...
Journal of the American Chemical Society 140 (51), 18082-18092, 2018
692018
Nanoconfined water within graphene slit pores adopts distinct confinement-dependent regimes
S Ruiz-Barragan, D Munoz-Santiburcio, D Marx
The journal of physical chemistry letters 10 (3), 329-334, 2019
572019
On the complex structural diffusion of proton holes in nanoconfined alkaline solutions within slit pores
D Muñoz-Santiburcio, D Marx
Nature Communications 7, 12625, 2016
452016
Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores
S Ruiz-Barragan, D Muñoz-Santiburcio, S Körning, D Marx
Physical Chemistry Chemical Physics 22 (19), 10833-10837, 2020
342020
Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase
D Muñoz‐Santiburcio, M Farnesi Camellone, D Marx
Angewandte Chemie 130 (13), 3385-3389, 2018
322018
Crystal structure and hydroxyl group vibrational frequencies of phyllosilicates by DFT methods
J Ortega-Castro, N Hernández-Haro, D Muñoz-Santiburcio, ...
Journal of Molecular Structure: THEOCHEM 912 (1-3), 82-87, 2009
282009
Ab initio molecular dynamics study of the dehydroxylation reaction in a smectite model
D Muñoz-Santiburcio, M Kosa, A Hernández-Laguna, CI Sainz-Díaz, ...
The Journal of Physical Chemistry C 116 (22), 12203-12211, 2012
182012
Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water
B Gu, B Cunningham, D Muñoz Santiburcio, F Da Pieve, E Artacho, ...
The Journal of Chemical Physics 153 (3), 2020
172020
Computational study of the elastic behavior of the 2M1 muscovite-paragonite series
N Hernández-Haro, J Ortega-Castro, C Perez Del Valle, ...
American Mineralogist 98 (4), 651-664, 2013
152013
AWESoMe: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids
D Muñoz-Santiburcio, A Hernández-Laguna, JI Soto
Computer Physics Communications 192, 272-277, 2015
142015
Theoretical study of the adsorption of 2-nitro-1-propanol on smectite surface models
D Muñoz-Santiburcio, J Ortega-Castro, CI Sainz-Díaz, FJ Huertas, ...
Journal of Molecular Structure: THEOCHEM 912 (1-3), 95-104, 2009
122009
Solvation-enhanced oxygen activation at gold/titania nanocatalysts
N Siemer, D Munoz-Santiburcio, D Marx
ACS Catalysis 10 (15), 8530-8534, 2020
112020
AWESoMe 1.1: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids
D Muñoz-Santiburcio, A Hernández-Laguna
Computer Physics Communications 217, 212-214, 2017
112017
Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor
B Gu, D Muñoz-Santiburcio, F Da Pieve, F Cleri, E Artacho, J Kohanoff
Radiation Physics and Chemistry 193, 109961, 2022
52022
Tools for investigating electronic excitation: experiment and multi-scale modelling
T Apostolova, E Artacho, F Cleri, M Cotelo, ML Crespillo, F Da Pieve, ...
Instituto de Fusión Nuclear" Guillermo Velarde", Universidad Politécnica de …, 2021
52021
Accurate diffusion coefficients of the excess proton and hydroxide in water via extensive ab initio simulations with different schemes
D Muñoz-Santiburcio
Journal of Chemical Physics 157 (2), 024504, 2022
42022
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Artículos 1–20