Performance of supercapacitors containing graphene oxide and ionic liquids by molecular dynamics simulations

Pereira, Guilherme Ferreira Lemos; Fileti, Eudes Eterno; Siqueira, Leonardo José Amaral de

doi:10.1016/j.carbon.2023.03.016

Cited by 9 publications

(3 citation statements)

References 48 publications

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“…These attributes facilitate the incorporation of GO into various nano composites and nano-morphologies. By employing structural modifica-tions and functionalization through covalent and noncovalent bonding interactions, GO finds applications in a wide array of real-world uses, including filtration membranes [132], electrochemical sensors [133], hydrogen storage devices [134], battery electrodes [135], supercapacitors [136,137], and microjet engines [138].…”

Section: Chemical Propertiesmentioning

confidence: 99%

Graphene Oxide Nanoparticles and Organoids: A Prospective Advanced Model for Pancreatic Cancer Research

Mai,

Inkielewicz-Stepniak

2024

IJMS

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Pancreatic cancer, notorious for its grim 10% five-year survival rate, poses significant clinical challenges, largely due to late-stage diagnosis and limited therapeutic options. This review delves into the generation of organoids, including those derived from resected tissues, biopsies, pluripotent stem cells, and adult stem cells, as well as the advancements in 3D printing. It explores the complexities of the tumor microenvironment, emphasizing culture media, the integration of non-neoplastic cells, and angiogenesis. Additionally, the review examines the multifaceted properties of graphene oxide (GO), such as its mechanical, thermal, electrical, chemical, and optical attributes, and their implications in cancer diagnostics and therapeutics. GO’s unique properties facilitate its interaction with tumors, allowing targeted drug delivery and enhanced imaging for early detection and treatment. The integration of GO with 3D cultured organoid systems, particularly in pancreatic cancer research, is critically analyzed, highlighting current limitations and future potential. This innovative approach has the promise to transform personalized medicine, improve drug screening efficiency, and aid biomarker discovery in this aggressive disease. Through this review, we offer a balanced perspective on the advancements and future prospects in pancreatic cancer research, harnessing the potential of organoids and GO.

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Section: Chemical Propertiesmentioning

confidence: 99%

Graphene Oxide Nanoparticles and Organoids: A Prospective Advanced Model for Pancreatic Cancer Research

Mai,

Inkielewicz-Stepniak

2024

IJMS

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“…The above results demonstrate the promotion effect of the two nanomaterials on the conductivity of the RTIL. Leonardo José Amaral Siqueira [ 80 ] also performed atomistic MDs to investigate the behavior of three different RTILs in contact with pores formed by GO electrodes. The oxygenated groups adsorbed on the surface of the GO lead to greater ionic mobility and a greater density of states, while maintaining the same specific area of pure graphene.…”

Section: The Influence Of Novel Electrodesmentioning

confidence: 99%

From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors

Zhang,

Wei,

Zheng

et al. 2024

Molecules

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Due to the unique properties of room temperature ionic liquids (RTILs), most researchers’ interest in RTIL-based electrolytes in electric double-layer capacitors (EDLCs) stems from molecular simulations, which are different from experimental scientific research fields. The knowledge of RTIL-based electrolytes in EDLCs began with a supposition obtained from the results of molecular simulations of molten salts. Furthermore, experiments and simulations were promoted and developed rapidly on this topic. In some instances, the achievements of molecular simulations are ahead of even those obtained from experiments in quantity and quality. Molecular simulations offer more information on the impacts of overscreening, quasicrowding, crowding, and underscreening for RTIL-based electrolytes than experimental studies, which can be helpful in understanding the mechanisms of EDLCs. With the advancement of experimental technology, these effects have been verified by experiments. The simulation prediction of the capacitance curve was in good agreement with the experiment for pure RTILs. For complex systems, such as RTIL–solvent mixtures and RTIL mixture systems, both molecular simulations and experiments have reported that the change in capacitance curves is not monotonous with RTIL concentrations. In addition, there are some phenomena that are difficult to explain in experiments and can be well explained through molecular simulations. Finally, experiments and molecular simulations have maintained synchronous developments in recent years, and this paper discusses their relationship and reflects on their application.

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“…Notably, their findings revealed that ion transport and charging can be boosted by a slower scan rate. Siqueira and co-workers − studied the charging dynamics of supercapacitors in different ionic liquids by constant-potential-based molecular dynamics simulation. Their results establish the correlation between charging dynamics and the in-pore ion structure.…”

Section: Introductionmentioning

confidence: 99%

Oscillation Charging Dynamics in Nanopore Supercapacitors with Organic Electrolyte

Mo,

Zhou,

et al. 2023

ACS Appl. Mater. Interfaces

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Nanopore electrodes have the potential to enhance the energy density of supercapacitors but tend to reduce charging dynamics, consequently impacting power density. A comprehensive understanding of their charging mechanisms can provide insights into how to boost charging dynamics. In this work, we conducted constant-potential-based molecular dynamics simulations to explore the charging mechanism of nanopore supercapacitors with organic electrolytes. Contrary to the traditional understanding associating larger pore sizes with faster charging, our results found a complex oscillatory behavior of the charging rate, correlating with nanopore size in organic electrolytes. An anomalously increased charging dynamics was found in the 0.9 nm pore. This anomalous enhancement can be attributed to the improved in-pore ion diffusion and reduced desolvation energy, owing to the orientation transition of the solvate molecules. These results pave a new way for innovative designs of nanoporous electrode supercapacitors that can enlarge both power and energy densities.

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Performance of supercapacitors containing graphene oxide and ionic liquids by molecular dynamics simulations

Cited by 9 publications

References 48 publications

Graphene Oxide Nanoparticles and Organoids: A Prospective Advanced Model for Pancreatic Cancer Research

Graphene Oxide Nanoparticles and Organoids: A Prospective Advanced Model for Pancreatic Cancer Research

From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors

Oscillation Charging Dynamics in Nanopore Supercapacitors with Organic Electrolyte

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