Paola Carbone

The University of Manchester

United Kingdom

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Articles (21)

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2025

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2022

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2022

Collaborators (12)

Martin Lisal

CZECH REPUBLIC

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Matteo Salvalaglio

Professor of Molecular Systems Engineering

University College London

UNITED KINGDOM

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Micaela Matta

Lecturer (Assistant Professor)

King’s College London

UNITED KINGDOM

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Sam Cobb

The University of Manchester

UNITED KINGDOM

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Graziano Di Carmine

University of Ferrara

ITALY

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Aaron R. Finney

Lecturer in Materials Science

University of Liverpool

UNITED KINGDOM

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Amritroop Achari

The University of Manchester

UNITED KINGDOM

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Alessandro Landi

Università degli Studi di Napoli Federico II

ITALY

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Claudio Fonte

Senior Lecturer in Chemical Engineering

The University of Manchester

UNITED KINGDOM

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Chengxu Zhu

Teaching assistant

University of Manchester

UNITED KINGDOM

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Imgon Hwang

The University of Manchester

UNITED KINGDOM

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Alessandro Troisi

Professor at Department of Chemistry

University of Liverpool

UNITED KINGDOM

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Paola Carbone

Research Interests

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Articles (21)

CO2 adsorption in natural deep eutectic solvents: insights from quantum mechanics and molecular dynamics

Hydrophobic Quinones in Unusual Aqueous Environments: Electrochemical Studies of Anthraquinone in Water-in-Salt Electrolytes

Understanding the influence of electrostatic interactions on observed pK shifts in surfactant aggregates using classical simulations

Applicability of the thermodynamic and mechanical route to Young’s equation for rigid and flexible solids: A molecular dynamics simulations study of a Lennard-Jones system model

Determination of the tortuosity of a Li-ion battery separator

Framework for a High-Throughput Screening Method to Assess Polymer/Plasticizer Miscibility: The Case of Hydrocarbons in Polyolefins

Relation between Double Layer Structure, Capacitance, and Surface Tension in Electrowetting of Graphene and Aqueous Electrolytes

Stability and structure of the aqueous LiTFSI–LiCl interface

Electrowetting of Carbon‐based Materials for Advanced Electrochemical Technologies

Relationship between Capillary Wettability, Mass, and Momentum Transfer in Nanoconfined Water: The Case of Water in Nanoslits of Graphite and Hexagonal Boron Nitride

Constant chemical potential–quantum mechanical–molecular dynamics simulations of the graphene–electrolyte double layer

Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model

Effect of a compressed separator on the electrochemical performance of Li-ion battery

Do specific ion effects influence the physical chemistry of aqueous graphene-based supercapacitors? Perspectives from multiscale QMMD simulations

Heterogenised catalysts for the H-transfer reduction reaction of aldehydes: influence of solvent and solvation effects on reaction performances

Understanding the balance between additives’ miscibility and plasticisation effect in polymer composites: a computational study

Decoding the Interplay between Topology and Surface Charge in Graphene Oxide Membranes During Humidity Induced Swelling

Adsorption of amphiphilic grafted polymers as polymer corrosion inhibitors: insights from mesoscopic simulations

Wettability of graphite under 2D confinement

The role of surface ionisation in the hydration-induced swelling of graphene oxide membranes

A molecular simulation study into the stability of hydrated graphene nanochannels used in nanofluidics devices

Collaborators (12)

Martin Lisal

Matteo Salvalaglio

Micaela Matta

Sam Cobb

Graziano Di Carmine

Aaron R. Finney

Amritroop Achari

Alessandro Landi

Claudio Fonte

Chengxu Zhu

Imgon Hwang

Alessandro Troisi

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