Device level modelling for predicting total density of states of single-walled CNTs with increasing chirality: A fusion of ab-initio modeling and machine learning framework

Vusala Nabi Jafarova; Debarati Roy; Khayala Ajdar Hasanova; Mihaela Luminita Barhalescu; Ionuț Cristian Scurtu

doi:10.1039/d5nr01210d

January 1, 2025Nanoscale

Device level modelling for predicting total density of states of single-walled CNTs with increasing chirality: A fusion of ab-initio modeling and machine learning framework

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Key Points

Novel approach predicts density of states based on chirality in carbon nanotubes, enhancing electronic property evaluation.
Study shows significant influence of chirality on single-walled carbon nanotubes, impacting applications in energy storage.
Methodology combines ab-initio modeling and machine learning for improved accuracy in predicting electronic behaviors.
Findings suggest new opportunities in nanotechnology, emphasizing the potential of carbon nanotubes in various applications.

Implication

This research demonstrates how ab-initio modeling predicts density of states in single-walled carbon nanotubes, suggesting implications for nanoelectronics.

Abstract

The electronic properties of single-walled carbon nanotubes (SWCNTs) are highly sensitive to their chirality, influencing their potential applications in nanoelectronics and energy storage. This study presents a novel approach to...

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Cite This Study

Jafarova et al. (2025) studied this question.

synapsesocial.com/papers/68d464f131b076d99fa64303 https://doi.org/10.1039/d5nr01210d

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Device level modelling for predicting total density of states of single-walled CNTs with increasing chirality: A fusion of ab-initio modeling and machine learning framework

Key Points

Implication

Abstract

Discussion

Cite This Study

Device level modelling for predicting total density of states of single-walled CNTs with increasing chirality: A fusion of ab-initio modeling and machine learning framework

Key Points

Implication

Abstract

Discussion

Cite This Study

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