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Confinement-Controlled Aqueous Chemistry within Nanometric Slit Pores: Focus Review

Chemical reviews, 2021-06, Vol.121 (11), p.6293-6320

2021

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Nanoconfinement in Slit Pores Enhances Water Self-Dissociation

Physical review letters, 2017-07, Vol.119 (5), p.056002-056002, Article 056002

2017

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Nanoconfined Water within Graphene Slit Pores Adopts Distinct Confinement-Dependent Regimes

The journal of physical chemistry letters, 2019-02, Vol.10 (3), p.329-334

2019

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On the complex structural diffusion of proton holes in nanoconfined alkaline solutions within slit pores

Nature communications, 2016-08, Vol.7 (1), p.12625-12625, Article 12625

2016

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Atomic-Scale Explanation of O2 Activation at the Au–TiO2 Interface

Journal of the American Chemical Society, 2018-12, Vol.140 (51), p.18082-18092

2018

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Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase

Angewandte Chemie International Edition, 2018-03, Vol.57 (13), p.3327-3331

International ed. in English, 2018

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Solvation-Enhanced Oxygen Activation at Gold/Titania Nanocatalysts

ACS catalysis, 2020-08, Vol.10 (15), p.8530-8534

2020

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Nanoconfinement effects on hydrated excess protons in layered materials

Nature communications, 2013-08, Vol.4 (1), p.2349-2349, Article 2349

2013

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Chemistry in nanoconfined water

Chemical science (Cambridge), 2017-05, Vol.8 (5), p.3444-3452

2017

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Accurate diffusion coefficients of the excess proton and hydroxide in water via extensive ab initio simulations with different schemes

The Journal of chemical physics, 2022-07, Vol.157 (2), p.024504-024504

Muñoz-Santiburcio, Daniel

2022

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Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (19), p.1833-1837

2020

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Nonlinear electronic stopping of negatively charged particles in liquid water

Physical review research, 2023-07, Vol.5 (3), Article 033063

2023

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Simulating the Dehydroxylation Reaction in Smectite Models by Car–Parrinello-like–Born–Oppenheimer Molecular Dynamics and Metadynamics

Journal of physical chemistry. C, 2016-12, Vol.120 (49), p.28186-28192

2016

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Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor

Radiation physics and chemistry (Oxford, England : 1993), 2022-04, Vol.193, p.109961, Article 109961

2022

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AWESoMe 1.1: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids

Computer physics communications, 2017-08, Vol.217, p.212-214

2017

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Melatonin/nanoclay hybrids for skin delivery

Applied clay science, 2022-03, Vol.218, p.106417, Article 106417

2022

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Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

The Journal of chemical physics, 2020-07, Vol.153 (3), p.034113-034113

2020

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AWESoMe: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids

Computer physics communications, 2015-07, Vol.192, p.272-277

2015

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Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase

Angewandte Chemie, 2018-03, Vol.130 (13), p.3385-3389

2018

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Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide

Physical review materials, 2023-02, Vol.7 (2), Article 025404

2023

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Confinement-Controlled Aqueous Chemistry within Nanometric Slit Pores

Chemical reviews, 2021-06, Vol.121 (11), p.6293-6320

2021

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Atomic-Scale Explanation of O 2 Activation at the Au-TiO 2 Interface

Journal of the American Chemical Society, 2018-12, Vol.140 (51), p.18082-18092

2018

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Chemistry in nanoconfined waterElectronic supplementary information (ESI) available: Details on the theory and methods, computational setup, and exhaustive description of the results. See DOI: 10.1039/c6sc04989c

2017-05

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Chemistry in nanoconfined water† †Electronic supplementary information (ESI) available: Details on the theory and methods, computational setup, and exhaustive description of the results. See DOI: 10.1039/c6sc04989c Click here for additional data file

Chemical science (Cambridge), 2017-03, Vol.8 (5), p.3444-3452

2017

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Inside Cover: Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase (Angew. Chem. Int. Ed. 13/2018)

Angewandte Chemie International Edition, 2018-03, Vol.57 (13), p.3266-3266

2018

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Confinement-Controlled Aqueous Chemistry within Nanometric Slit Pores: Focus Review

Nanoconfinement in Slit Pores Enhances Water Self-Dissociation

Nanoconfined Water within Graphene Slit Pores Adopts Distinct Confinement-Dependent Regimes

On the complex structural diffusion of proton holes in nanoconfined alkaline solutions within slit pores

Atomic-Scale Explanation of O2 Activation at the Au–TiO2 Interface

Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase

Solvation-Enhanced Oxygen Activation at Gold/Titania Nanocatalysts

Nanoconfinement effects on hydrated excess protons in layered materials

Chemistry in nanoconfined water

Accurate diffusion coefficients of the excess proton and hydroxide in water via extensive ab initio simulations with different schemes

Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores

Nonlinear electronic stopping of negatively charged particles in liquid water

Simulating the Dehydroxylation Reaction in Smectite Models by Car–Parrinello-like–Born–Oppenheimer Molecular Dynamics and Metadynamics

Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor

AWESoMe 1.1: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids

Melatonin/nanoclay hybrids for skin delivery

Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

AWESoMe: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids

Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase

Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide

Confinement-Controlled Aqueous Chemistry within Nanometric Slit Pores

Atomic-Scale Explanation of O 2 Activation at the Au-TiO 2 Interface

Chemistry in nanoconfined waterElectronic supplementary information (ESI) available: Details on the theory and methods, computational setup, and exhaustive description of the results. See DOI: 10.1039/c6sc04989c

Chemistry in nanoconfined water† †Electronic supplementary information (ESI) available: Details on the theory and methods, computational setup, and exhaustive description of the results. See DOI: 10.1039/c6sc04989c Click here for additional data file

Inside Cover: Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase (Angew. Chem. Int. Ed. 13/2018)

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