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Paola Carbone

The University of Manchester

United Kingdom

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Research Interests

Condensed Matter Physics

60%

Polymer Physics

70%

Wettability

40%

Graphene Research

40%

Interfacial Science

30%

Surface Physics

20%

Molecular Dynamics

20%

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Articles21

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

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Year:

2025

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

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2025

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

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Year:

2025

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

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Year:

2025

Determination of the tortuosity of a Li-ion battery separator

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Year:

2024

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

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Year:

2024

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

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2024

Stability and structure of the aqueous LiTFSI–LiCl interface

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Year:

2024

Electrowetting of Carbon‐based Materials for Advanced Electrochemical Technologies

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2024

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

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2024

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

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2023

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

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Year:

2023

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

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Year:

2023

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

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Year:

2023

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

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Year:

2023

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

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Year:

2023

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

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Year:

2023

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

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Year:

2022

Wettability of graphite under 2D confinement

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2022

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

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Year:

2022

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

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Year:

2022

Collaborators12

Martin Lisal

CZECH REPUBLIC

Matteo Salvalaglio

Professor of Molecular Systems Engineering

University College London

UNITED KINGDOM

Micaela Matta

Lecturer (Assistant Professor)

King’s College London

UNITED KINGDOM

Sam Cobb

The University of Manchester

UNITED KINGDOM

Graziano Di Carmine

University of Ferrara

ITALY

Aaron R. Finney

Lecturer in Materials Science

University of Liverpool

UNITED KINGDOM

Amritroop Achari

The University of Manchester

UNITED KINGDOM

Alessandro Landi

Università degli Studi di Napoli Federico II

ITALY

Claudio Fonte

Senior Lecturer in Chemical Engineering

The University of Manchester

UNITED KINGDOM

Chengxu Zhu

Teaching assistant

University of Manchester

UNITED KINGDOM

Imgon Hwang

The University of Manchester

UNITED KINGDOM

Alessandro Troisi

Professor at Department of Chemistry

University of Liverpool

UNITED KINGDOM

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