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[1]
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Multiscale Investigation of Hydrogen Adsorption in Vacancy-Engineered CNCs: A Combined DFT and PHITS Monte Carlo Study
Open Journal of Composite Materials,
2026
DOI:10.4236/ojcm.2026.162004
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[2]
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IR spectroscopic and vibrational modes of C59X and C60X fullerenes (X = Li, Be)
Diamond and Related Materials,
2024
DOI:10.1016/j.diamond.2024.111448
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[3]
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DFT Study of Se-Doped Nanocones as Highly Efficient Hydrogen Storage Carrier
Graphene,
2021
DOI:10.4236/graphene.2021.104004
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[4]
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Hydrogen Adsorption Mechanism of SiC Nanocones
Graphene,
2020
DOI:10.4236/graphene.2020.91001
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[5]
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A grand canonical Monte Carlo study of SO2 capture using functionalized bilayer graphene nanoribbons
The Journal of Chemical Physics,
2017
DOI:10.1063/1.4974309
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[6]
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Mono-Vacancy and B-Doped Defects in Carbon Heterojunction Nanodevices
Graphene,
2015
DOI:10.4236/graphene.2015.44009
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[7]
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The Surface Reactivity and Electronic Properties of Small Hydrogenation Fullerene Cages
Journal of Surface Engineered Materials and Advanced Technology,
2015
DOI:10.4236/jsemat.2015.53018
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[8]
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Adsorption of CO, CO2, NO and NO2 on Boron Nitride Nanotubes: DFT Study
Journal of Surface Engineered Materials and Advanced Technology,
2015
DOI:10.4236/jsemat.2015.53017
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[9]
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Adsorption of CO, CO2, NO and NO2 on Carbon Boron Nitride Hetero Junction: DFT Study
Journal of Surface Engineered Materials and Advanced Technology,
2015
DOI:10.4236/jsemat.2015.54019
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[10]
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Effect of Tubular Chiralities and Diameters of Single Carbon Nanotubes on Gas Sensing Behavior: A DFT Analysis
Journal of Surface Engineered Materials and Advanced Technology,
2014
DOI:10.4236/jsemat.2014.42010
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