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Monte Carlo simulation of carbon dioxide adsorption on highly crystalline carbonaceous materials obtained by chemical synthesis

Adsorption : journal of the International Adsorption Society, 2024-01, Vol.30 (1), p.39-50

Albesa, Alberto G.

2024

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Bioinspired integrated nanosystems based on solid-state nanopores: "iontronic" transduction of biological, chemical and physical stimuli

Chemical science (Cambridge), 2017, Vol.8 (2), p.89-913

2017

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Investigating the Impact of Network Functionalization on Protein Adsorption to Polymer Nanogels

The journal of physical chemistry. B, 2024-01, Vol.128 (1), p.371-380

2024

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Host-guest supramolecular chemistry in solid-state nanopores: potassium-driven modulation of ionic transport in nanofluidic diodes

Nanoscale, 2015-01, Vol.7 (38), p.15594-15598

2015

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Thermodynamic Theory of Multiresponsive Microgel Swelling

Macromolecules, 2021-03, Vol.54 (6), p.2936-2947

2021

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Phosphate‐Responsive Biomimetic Nanofluidic Diodes Regulated by Polyamine–Phosphate Interactions: Insights into Their Functional Behavior from Theory and Experiment

Small (Weinheim an der Bergstrasse, Germany), 2018-05, Vol.14 (18), p.e1702131-n/a

2018

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Manipulating Ion Transport Regimes in Nanomembranes via a “Pore-in-Pore” Approach Enabled by the Synergy of Metal–Organic Frameworks and Solid-State Nanochannels

ACS nano, 2024-07, Vol.18 (28), p.18572-18583

2024

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Insight into the transport of ions from salts of moderated solubility through nanochannels: negative incremental resistance assisted by geometry

Nanoscale, 2024-07, Vol.16 (26), p.12599-1261

2024

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Shape matters: Enhanced osmotic energy harvesting in bullet-shaped nanochannels

Nano energy, 2020-05, Vol.71, p.104612, Article 104612

2020

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Using Polymer Hydrogels for Glyphosate Sequestration from Aqueous Solutions: Molecular Theory Study of Adsorption to Polyallylamine Films

Langmuir, 2018-10, Vol.34 (42), p.12560-12568

2018

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The Influence of Divalent Anions on the Rectification Properties of Nanofluidic Diodes: Insights from Experiments and Theoretical Simulations

Chemphyschem, 2016-09, Vol.17 (17), p.2718-2725

2016

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Triggering doxorubicin release from responsive hydrogel films by polyamine uptake

Soft matter, 2020-08, Vol.16 (32), p.7492-752

2020

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Molecular theory of glyphosate adsorption to pH-responsive polymer layers

Adsorption : journal of the International Adsorption Society, 2019-10, Vol.25 (7), p.1307-1316

2019

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Ethane/Ethylene Adsorption on Carbon Nanotubes: Temperature and Size Effects on Separation Capacity

Langmuir, 2012-01, Vol.28 (3), p.1824-1832

2012

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Texture and surface sites of treated and as-prepared SWNT using experimental and simulation methods

Adsorption : journal of the International Adsorption Society, 2021-08, Vol.27 (6), p.909-923

2021

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Comparative Study of Methane Adsorption on Single-Walled Carbon Nanotubes

Langmuir, 2010-01, Vol.26 (2), p.786-795

2010

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Monte Carlo simulations of n-butane and n-octane adsorbed onto graphite and a molecular model of activated carbon

Adsorption : journal of the International Adsorption Society, 2019-10, Vol.25 (7), p.1419-1424

2019

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Solvent effects on glyphosate deprotonation: DFT theoretical studies

Chemical physics impact, 2023-06, Vol.6, p.100140, Article 100140

2023

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DESCRIPTION OF CHEMICALLY AND THERMALLY TREATED MULTI-WALLED CARBON NANOTUBES USING SEQUENTIAL DECOMPOSITION OF ADSORPTION ISOTHERMS

Surface review and letters, 2016-08, Vol.23 (4), p.1650025

2016

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Advantages of Multidimensional Biasing in Accelerated Dynamics: Application to the Calculation of the Acid pK a for Acetic Acid

The journal of physical chemistry. B, 2023-10, Vol.127 (39), p.8446-8455

2023

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Advantages of Multidimensional Biasing in Accelerated Dynamics: Application to the Calculation of the Acid p K a for Acetic Acid

The journal of physical chemistry. B, 2023-10, Vol.127 (39), p.8446-8455

2023

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Advantages of Multidimensional Biasing in Accelerated Dynamics: Application to the Calculation of the Acid pKa for Acetic Acid

The journal of physical chemistry. B, 2023-10, Vol.127 (39), p.8446-8455

2023

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Adsorption of Phenols from Different Solvents on Graphene: Semi-Empirical Quantum Mechanical Calculations

Adsorption science & technology, 2013-04, Vol.31 (4), p.359-371

2013

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Trivalent cations switch the selectivity in nanopores

Journal of molecular modeling, 2013-06, Vol.19 (6), p.2183-2188

2013

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Comparative Study of Methane Adsorption on Graphite

Langmuir, 2008-04, Vol.24 (8), p.3836-3840

2008

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Monte Carlo simulation of carbon dioxide adsorption on highly crystalline carbonaceous materials obtained by chemical synthesis

Bioinspired integrated nanosystems based on solid-state nanopores: "iontronic" transduction of biological, chemical and physical stimuli

Investigating the Impact of Network Functionalization on Protein Adsorption to Polymer Nanogels

Host-guest supramolecular chemistry in solid-state nanopores: potassium-driven modulation of ionic transport in nanofluidic diodes

Thermodynamic Theory of Multiresponsive Microgel Swelling

Phosphate‐Responsive Biomimetic Nanofluidic Diodes Regulated by Polyamine–Phosphate Interactions: Insights into Their Functional Behavior from Theory and Experiment

Manipulating Ion Transport Regimes in Nanomembranes via a “Pore-in-Pore” Approach Enabled by the Synergy of Metal–Organic Frameworks and Solid-State Nanochannels

Insight into the transport of ions from salts of moderated solubility through nanochannels: negative incremental resistance assisted by geometry

Shape matters: Enhanced osmotic energy harvesting in bullet-shaped nanochannels

Using Polymer Hydrogels for Glyphosate Sequestration from Aqueous Solutions: Molecular Theory Study of Adsorption to Polyallylamine Films

The Influence of Divalent Anions on the Rectification Properties of Nanofluidic Diodes: Insights from Experiments and Theoretical Simulations

Triggering doxorubicin release from responsive hydrogel films by polyamine uptake

Molecular theory of glyphosate adsorption to pH-responsive polymer layers

Ethane/Ethylene Adsorption on Carbon Nanotubes: Temperature and Size Effects on Separation Capacity

Texture and surface sites of treated and as-prepared SWNT using experimental and simulation methods

Comparative Study of Methane Adsorption on Single-Walled Carbon Nanotubes

Monte Carlo simulations of n-butane and n-octane adsorbed onto graphite and a molecular model of activated carbon

Solvent effects on glyphosate deprotonation: DFT theoretical studies

DESCRIPTION OF CHEMICALLY AND THERMALLY TREATED MULTI-WALLED CARBON NANOTUBES USING SEQUENTIAL DECOMPOSITION OF ADSORPTION ISOTHERMS

Advantages of Multidimensional Biasing in Accelerated Dynamics: Application to the Calculation of the Acid pK a for Acetic Acid

Advantages of Multidimensional Biasing in Accelerated Dynamics: Application to the Calculation of the Acid p K a for Acetic Acid

Advantages of Multidimensional Biasing in Accelerated Dynamics: Application to the Calculation of the Acid pKa for Acetic Acid

Adsorption of Phenols from Different Solvents on Graphene: Semi-Empirical Quantum Mechanical Calculations

Trivalent cations switch the selectivity in nanopores

Comparative Study of Methane Adsorption on Graphite

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