Exploring the structural, electronic, and hydrogen storage properties of hexagonal boron nitride and carbon nanotubes: insights from single-walled to doped double-walled configurations

Exploring the structural, electronic, and hydrogen storage properties of hexagonal boron nitride and carbon nanotubes: insights from single-walled to doped double-walled configurations

Abstract This study investigates the structural intricacies and properties of single-walled nanotubes (SWNT) and double-walled nanotubes (DWNT) composed of hexagonal boron nitride (BN) and carbon (C). Doping with various atoms including light elements (B, N, O) and heavy metals (Fe, Co, Cu) is taken...

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Bibliographic Details
Main Authors: Mahmoud A. S. Sakr, Hazem Abdelsalam, Nahed H. Teleb, Omar H. Abd-Elkader, Qinfang Zhang
Format: Article
Language:English
Published: Nature Portfolio 2024-02-01
Series:Scientific Reports
Subjects:
Carbon and hexagonal BN Nanotubes
Doping
DFT
TD-DFT
Adsorption energy
Hydrogen storage
Online Access:https://doi.org/10.1038/s41598-024-55583-8

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