Preprint Review Version 1 This version is not peer-reviewed

Modelling Carbon-Based Nanomaterials (CNMs) and Derived Composites and Devices

Version 1 : Received: 9 October 2024 / Approved: 10 October 2024 / Online: 10 October 2024 (04:37:36 CEST)

How to cite: Chiminelli, A.; Radović, I.; Fasano, M.; Fantoni, A.; Laspalas, M.; Kalinić, A.; Provenzano, M.; Fernandes, M. Modelling Carbon-Based Nanomaterials (CNMs) and Derived Composites and Devices. Preprints 2024, 2024100750. https://doi.org/10.20944/preprints202410.0750.v1 Chiminelli, A.; Radović, I.; Fasano, M.; Fantoni, A.; Laspalas, M.; Kalinić, A.; Provenzano, M.; Fernandes, M. Modelling Carbon-Based Nanomaterials (CNMs) and Derived Composites and Devices. Preprints 2024, 2024100750. https://doi.org/10.20944/preprints202410.0750.v1

Abstract

A review of different modelling techniques, specifically in the framework of carbon-based nanomaterials (CNMs, including nanoparticles as graphene and carbon nanotubes - CNTs) and the composites and devices that can be derived from them, is presented. The article highlights the multiscale nature of these types of materials and systems, which require different approaches depending on the type, size, internal structure/configuration of the material and properties of interest. Far from attempting to cover the entire spectrum of models, this review examines a wide range of analysis and simulation techniques, highlighting their potential use, some of their weaknesses and strengths, and presenting the latest developments and some application examples. Specifically, this paper shows how electronic, atomistic, mesoscopic, continuum and system models can be used to study and design CNMs, to predict different properties and responses of materials, or even to study devices such as sensors. This review has been performed within the framework of COST Action EsSENce (High-performance Carbon-based composites with Smart properties for Advanced Sensing Applications – CA19118).

Keywords

carbon; carbon-based materials; graphene; CNT; nanocomposites; electronic; molecular dynamics; continuum models; GFET

Subject

Physical Sciences, Applied Physics

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