Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulations

Ama tul Zahra; Aamir Shahzad; Alina Manzoor; Jamoliddin Razzokov; Qurat ul Ain Asif; Kun Luo; Guogang Ren

doi:10.1371/journal.pone.0296916

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Peer-reviewed

Research Article

Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulations

Ama tul Zahra,

Roles Data curation, Investigation, Methodology, Software, Writing – original draft

Affiliation Modeling and Simulation Laboratory, Department of Physics, Government College University Faisalabad, Faisalabad, Punjab, Pakistan
⨯
Aamir Shahzad ,

Roles Conceptualization, Methodology, Resources, Supervision, Writing – original draft

* E-mail: aamir.awan@gcuf.edu.pk (AS); g.g.ren@herts.ac.uk (GR)

Affiliation Modeling and Simulation Laboratory, Department of Physics, Government College University Faisalabad, Faisalabad, Punjab, Pakistan

https://orcid.org/0000-0002-2221-3571

⨯
Alina Manzoor,

Roles Formal analysis, Validation, Writing – review & editing

Affiliation Modeling and Simulation Laboratory, Department of Physics, Government College University Faisalabad, Faisalabad, Punjab, Pakistan
⨯
Jamoliddin Razzokov,

Roles Formal analysis, Investigation, Validation, Writing – review & editing

Affiliations Institute of Fundamental and Applied Research, National Research University TIIAME, Tashkent, Uzbekistan, College of Engineering, Central Asian University, Tashkent, Uzbekistan, Department of Biomedical Engineering, Tashkent State, Technical University, Tashkent, Uzbekistan
⨯
Qurat ul Ain Asif,

Roles Formal analysis, Investigation, Visualization

Affiliation Modeling and Simulation Laboratory, Department of Physics, Government College University Faisalabad, Faisalabad, Punjab, Pakistan
⨯
Kun Luo,

Roles Formal analysis, Funding acquisition, Validation, Writing – review & editing

Affiliation School of Materials Science and Engineering, Changzhou University, Changzhou, P R China

https://orcid.org/0000-0001-6526-4304

⨯
Guogang Ren

Roles Formal analysis, Funding acquisition, Methodology, Writing – review & editing

* E-mail: aamir.awan@gcuf.edu.pk (AS); g.g.ren@herts.ac.uk (GR)

Affiliation School of Physics, Engineering and Computer Sciences, University of Hertfordshire, Hatfield, United Kingdom
⨯

Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulations

Ama tul Zahra,
Aamir Shahzad,
Alina Manzoor,
Jamoliddin Razzokov,
Qurat ul Ain Asif,
Kun Luo,
Guogang Ren

Published: February 9, 2024
https://doi.org/10.1371/journal.pone.0296916

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