Molecular Simulation of Graphene Growth Reactions at Various Temperatures Derived from Benzene in Coal Tar Aromatic Hydrocarbons

Molecular Simulation of Graphene Growth Reactions at Various Temperatures Derived from Benzene in Coal Tar Aromatic Hydrocarbons

Coal tar, a by-product of the pyrolysis of coal, is rich in aromatic compounds that have the potential to facilitate the synthesis of graphene, a high-quality carbon material, via low-temperature chemical vapor deposition (CVD). This approach offers a promising avenue for the cost-effective and larg...

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Bibliographic Details
Main Authors: Shuhan Zhao, Zhongyang Luo, Mengxiang Fang, Qinhui Wang, Jianmeng Cen
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Energies
Subjects:
coal tar
aromatic compounds
low energy consumption
graphene
molecular dynamics simulation
ReaxFF
Online Access:https://www.mdpi.com/1996-1073/18/2/392
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