article · New Journal of Chemistry

van der Waals interactions on semiconducting single-walled carbon nanotubes filled with porphyrin molecules: structure optimisation and Raman analysis

202410 citationsUniversité Moulay Ismail de Meknes

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Abstract

This study investigates the Raman analysis of the free base porphyrin (Py) molecule and its encapsulation within a carbon nanotube (CNT) framework using computational simulations.

Research topics

Carbon Nanotubes in Composites
Organic Electronics and Photovoltaics
Molecular Junctions and Nanostructures

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DOI: 10.1039/d4nj00628c

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