DFT study of co-doping effects on the electronic, optical, transport, and thermodynamic properties of (5,5) SWCNTs for photovoltaic and photonic applications

DFT study of co-doping effects on the electronic, optical, transport, and thermodynamic properties of (5,5) SWCNTs for photovoltaic and photonic applications

This study employed density functional theory (DFT) to explore the co-doping effects of single-walled carbon nanotubes (SWCNTs) with boron, aluminum, and gallium. The B3LYP functional, combined with the 6–31G(d) basis set, was applied to examine the impact of double doping effects on the electronic,...

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Bibliographic Details
Main Authors: I.A. Tabet Djeudi, G.W. Ejuh, P.F. Bissi Nyandou, Oumaima Douass, A. Teyou Ngoupo, C.C. Fonkem, Y. Tadjouteu Assatse, R.A. Yossa Kamsi, J.M.B. Ndjaka, Bilel Mehnen
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Chemical Physics Impact
Subjects:
SWCNT
DFT
Defective electron elements
Doping
Photonics
Photovoltaics
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022424003542
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