Molecular temperature descriptors as a novel approach for QSPR analysis of Borophene nanosheets

Abdul Rauf Khan, Zafar Ullah, Muhammad Imran, Sidra Aziz Malik, Lamis M Alamoudi and Murat Cancan

PLOS ONE, 2024, vol. 19, issue 6, 1-40

Abstract: Borophene nanosheets appear in various sizes and shapes, ranging from simple planar structures to complicated polyhedral formations. Due to their unique chemical, optical, and electrical properties, Borophene nanosheets are theoretically and practically attractive and because of their high thermal conductivity, boron nanosheets are suitable for efficient heat transmission applications. In this paper, temperature indices of borophene nanosheets are computed and these indices are employed in QSPR analysis of attributes like Young’s modulus, Shear modulus, and Poisson’s ratio of borophene nanosheets and borophene β12 sheets. The regression model for the F-Temperature index is discovered to be the best fit for shear modulus, the reciprocal product connectivity temperature index is discovered to be fit for Poisson’s ratio and the second hyper temperature index is discovered to be fit for Young’s modulus based on the correlation coefficient.

Date: 2024
References: Add references at CitEc
Citations:

Downloads: (external link)
https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0302157 (text/html)
https://journals.plos.org/plosone/article/file?id= ... 02157&type=printable (application/pdf)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:plo:pone00:0302157

DOI: 10.1371/journal.pone.0302157

Access Statistics for this article

More articles in PLOS ONE from Public Library of Science
Bibliographic data for series maintained by plosone ().