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Paola Carbone

University of Manchester

H指数:35

被引数:7,852

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PolyRapid: automated high-throughput screening of polymers using a computational workflow

PolyRapid：利用计算工作流对聚合物进行自动化高通量筛选

IF2.8

2026-08-260

PRE

Competitive Retention of Na/Cs in Montmorillonite Interlayers: A Hybrid Molecular Dynamics and Grand Canonical Monte Carlo Study

蒙脱石层间Na/Cs的竞争性滞留：一种混合分子动力学和 grand canonical 蒙特卡罗研究

The Journal of Physical Chemistry C

IF3.2

2026-05-080

PRE

Ionophilicity and transport dynamics of concentrated electrolytes in sub-nanometre graphite confinement

离子亲和性与亚纳米石墨限制中浓电解质的传输动力学

faraday discuss.

IF0

2026-04-230

OA

Ion Pairing Restructures the Electric Double Layer in Water-in-Salt Electrolytes on Graphite and Alters Capacitance

离子对重组石墨中的水盐电解质电双层并改变电容

The Journal of Physical Chemistry C

IF3.2

2026-04-130

PRE

Simulation of Charge Distribution and Microstructure in Semicrystalline Polymeric Ionic-Electronic Conductors Using Classical Simulation at Constant Electrochemical Potential

在恒定电化学势下使用经典模拟方法对半结晶性聚合物离子-电子导体的电荷分布和微观结构进行模拟

Journal of Chemical Theory and Computation

IF5.5

2026-03-060

OA

Hierarchical Virtual Screening for Plasticizer Discovery with Active Learning

基于主动学习的塑料剂发现层次化虚拟筛选

ACS Applied Polymer Materials

IF4.7

2026-03-010

PRE

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2025-02-060

PRE

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

CO2在天然深共晶溶剂中的吸附：来自量子力学和分子动力学的见解

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2025-01-011

OA

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

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2024-10-080

OAAI

Determination of the tortuosity of a Li-ion battery separator

锂离子电池隔膜曲折度的测定

JOURNAL OF ENERGY STORAGE

IF9.8

2024-09-010

OAAI

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

IF5.2

2024-05-141

OAAI

Electrowetting of Carbon-based Materials for Advanced Electrochemical Technologies

CHEMELECTROCHEM

IF3.5

2024-03-182

OA

Structure and dynamics in dense ionic fluids: general discussion

FARADAY DISCUSSIONS

IF3.1

2024-01-010

PRE

Abbott, Andrew P.; Atkin, Rob; Bala, Muhammad Dabai; Brown, Stuart J.; Bruce, Duncan W.; Carbone, Paola; Castiglione, Franca; Gomes, Margarida Costa; Dufreche, Jean-Francois; Edler, Karen J.; Feeney, Andrew; Goloviznina, Kateryna; Gomez-Estevez, Juan Luis; Groves, Timothy S.; Hansen, Benworth; Hendrikse, Rachel; Holm, Christian; Illien, Pierre; Kjellander, Roland; Kornyshev, Alexei; Margulis, Claudio J.; Maurer, Joshua; Miao, Shurui; Perkin, Susan; Rezabal, Elixabete; de Moraes, Beatriz Rocha; Roling, Bernhard; Rotenberg, Benjamin; Sangoro, Joshua; Schaeffer, Nicolas; Schoenhoff, Monika; Shimizu, Karina; Slattery, John M.; Taylor, Neave; Umebayashi, Yasuhiro; van den Bruinhorst, Adriaan; Watanabe, Masayoshi; Zills, Fabian

Ionic fluids at equilibrium: thermodynamics, nanostructure, phase behaviour, activity: general discussion

FARADAY DISCUSSIONS

IF3.1

2024-01-010

OA

Abbott, Andrew P.; Atkin, Rob; Bruce, Duncan W.; Carbone, Paola; Damilano, Giacomo; Dryfe, Robert A. W.; Dufreche, Jean-Francois; Edler, Karen J.; Fung, Y. K. Catherine; Goloviznina, Kateryna; Gomes, Margarida Costa; Grimaud, Alexis; Groves, Timothy S.; Hartley, Jennifer M.; Holbrey, John D.; Holm, Christian; Illien, Pierre; Kjellander, Roland; Kornyshev, Alexei; Lovelock, Kevin R. J.; Markiewitz, Daniel M.; Maurer, Joshua; Miao, Shurui; Nishi, Naoya; de Moraes, Beatriz Rocha; Roling, Bernhard; Rotenberg, Benjamin; Sangoro, Joshua; Schaeffer, Nicolas; Schonhoff, Monika; Sconyers, David J.; Slattery, John M.; Swadzba-Kwasny, Malgorzata; van den Bruinhorst, Adriaan; Welton, Tom

Stability and structure of the aqueous LiTFSI-LiCl interface

水性litfsi-licl界面的稳定性和结构

FARADAY DISCUSSIONS

IF3.1

2024-01-013

OA

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

电润湿石墨烯与水电解质的双层结构、电容与表面张力的关系

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2023-12-2813

OAAI

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

IF16

2023-11-025

OAAI

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-04-048

OA

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

IF11.6

2023-04-018

OAAI

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

压缩隔膜对锂离子电池电化学性能的影响

JOURNAL OF POWER SOURCES

IF7.9

2023-04-017

OAAI